id
int64 0
71k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
70,700 | {
"selfies": [
"[C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]",
"[N][O]",
"[C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=N][N][O][=C][C][Branch1][C][C][=C][Ring1][O][O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]"
],
"smiles": [
"Cc1cc(C#N)cc(C)c1OCC1COC(C)(C)O1",
"NO",
"Cc1cc(C(=N)NO)cc(C)c1OCC1COC(C)(C)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CO .",
"role": "assistant"
}
] | |
70,701 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][C][C][Ring2][Ring1][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][N][Ring1][P][C][C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CCOC(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1NC(=O)OC(C)(C)C",
"COc1cc2c(cc1OC)C1CC(NC(=O)OC(C)(C)C)C(C(=O)O)CN1CC2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
70,702 | {
"selfies": [
"[C][N][C][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1][C][C][Ring1][#C]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]",
"[C][N][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][S][C][C][Ring2][Ring1][Branch2]"
],
"smiles": [
"CN1CCC(C(=O)c2cccc(N)n2)CC1",
"O=C(Cl)c1ccccc1Cl",
"CN1CCC(C(=O)c2cccc(NC(=O)c3ccccc3Cl)n2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1COCCO1.CO .",
"role": "assistant"
}
] | |
70,703 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][Ring1][C][O][C][S][Branch1][C][N][=Branch1][C][=O][=O]",
"[Cl][C][=N][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][O][C][=N][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][S][Branch1][C][N][=Branch1][C][=O][=O]"
],
"smiles": [
"CC(C)(CO)CS(N)(=O)=O",
"Clc1nn2ccnc2c2ccccc12",
"CC(C)(COc1nn2ccnc2c2ccccc12)CS(N)(=O)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,704 | {
"selfies": [
"[C][=C][C][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][=C][C][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O]"
],
"smiles": [
"C=CCc1cc(CO)ccc1O[Si](C)(C)C(C)(C)C",
"C=CCc1cc(CO)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,705 | {
"selfies": [
"[C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]"
],
"smiles": [
"C#Cc1ccccc1",
"CC(C)(C)OC(=O)Nc1ccc(I)cc1",
"CC(C)(C)OC(=O)Nc1ccc(C#Cc2ccccc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,706 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]"
],
"smiles": [
"CCOC(=O)CC(N)c1cccc([N+](=O)[O-])c1",
"O=S(=O)(Cl)c1ccccc1",
"CCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
70,707 | {
"selfies": [
"[C][I]",
"[O][=C][Branch1][P][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][#Branch2][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1]",
"[C][O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][Ring1][P]"
],
"smiles": [
"CI",
"O=C(c1cc2nccc(Cl)c2s1)N1CCC(O)C1",
"COC1CCN(C(=O)c2cc3nccc(Cl)c3s2)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
70,708 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][C][=C][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O]",
"[C][C][=C][N][Branch2][Ring1][#C][C][C][C][Branch1][C][O][C][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][=Branch1][=O]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O",
"Cc1cn(C2CC(O)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,709 | {
"selfies": [
"[C][C][=N][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][Branch2][N][C][C][C][C][C][O][=C][Ring1][P][C]",
"[O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=N][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][Branch2][N][C][C][C][C][C][O][=C][Ring2][Ring1][#Branch1][C]"
],
"smiles": [
"Cc1nc(Cl)c([N+](=O)[O-])c(NCCCCCO)c1C",
"Oc1ccccc1",
"Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCCCCO)c1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
70,710 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1]",
"[O][C][C][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1]"
],
"smiles": [
"CCOC(=O)CN1CCN2c3ccccc3Cc3ccccc3C2C1",
"OCCN1CCN2c3ccccc3Cc3ccccc3C2C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
70,711 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][O]",
"[N][C][=C][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][O]"
],
"smiles": [
"O=[N+]([O-])c1cccc(-c2cn[nH]c2)c1",
"Nc1cccc(-c2cn[nH]c2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCOC(C)=O .",
"role": "assistant"
}
] | |
70,712 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=C][C]",
"[C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1]"
],
"smiles": [
"COC(=O)Cc1cc2ccc(Cl)cc2c(-c2ccc(S(=O)(=O)c3ccccc3C(F)(F)F)cc2)c1C",
"Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
70,713 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][O]",
"[O][=C][NH1][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][O][Ring1][#Branch1]",
"[O][=C][NH1][C][=N][C][=C][C][Branch1][C][Br][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=C][Ring1][#Branch2]"
],
"smiles": [
"O=[N+]([O-])O",
"O=c1[nH]cnc2cc(Br)ccc12",
"O=c1[nH]cnc2cc(Br)c([N+](=O)[O-])cc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be O=S(=O)(O)O .",
"role": "assistant"
}
] | |
70,714 | {
"selfies": [
"[I][C][C][=N][N][Branch1][P][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Ring1][#C]",
"[O][=C][C][C][C][Branch1][O][N][C][=C][Branch1][C][I][C][=N][Ring1][=Branch1][C][C][Ring1][N]"
],
"smiles": [
"Ic1cnn(C2CCC3(CC2)OCCO3)c1",
"O=C1CCC(n2cc(I)cn2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CC(C)=O.O .",
"role": "assistant"
}
] | |
70,715 | {
"selfies": [
"[C][C][C][N][Branch2][Ring1][O][C][Branch1][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][C][C][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][N][Branch2][Ring1][O][C][Branch1][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][C][C][N][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1",
"CC1CN(C2(C)CCN(C(=O)OC(C)(C)C)CC2)CCN1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO .",
"role": "assistant"
}
] | |
70,716 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][C][N][C][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][Ring1][#C]",
"[C][N][Branch1][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][Ring1][#C]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CN(C)CCNC1CCN(c2ccc(C(=O)O)cc2)CC1",
"CN(C)CCN(C(=O)OC(C)(C)C)C1CCN(c2ccc(C(=O)O)cc2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
70,717 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1]",
"[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][N]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"COc1ccc(F)c(-c2ccc(CO)cc2C(=O)C(C)(C)C)c1",
"COc1ccc(F)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C(=O)C(C)(C)C)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,718 | {
"selfies": [
"[C][C][O][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2]",
"[C][C][=C][Branch1][C][O][C][=C][C][Branch1][Ring1][C][=O][=C][Ring1][=Branch2][O]",
"[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C]"
],
"smiles": [
"CCOc1ccc(CCl)cc1",
"Cc1c(O)ccc(C=O)c1O",
"CCOc1ccc(COc2ccc(C=O)c(O)c2C)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,719 | {
"selfies": [
"[C][C][N]",
"[C][O][C][=C][C][=N][C][=N][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C]",
"[O][=C][Branch1][#Branch2][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"[C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]"
],
"smiles": [
"CCN",
"COc1cc2ncnc(Oc3ccc(N)cc3)c2cc1OC",
"O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl",
"CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CCN(CC)CC.ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,720 | {
"selfies": [
"[C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][=C][C][=Branch1][C][=O][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][#C][C]",
"[C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][N][Ring1][Branch2][C]"
],
"smiles": [
"CNC(=O)C(C)NCc1cc(=O)c(OCc2ccccc2)cn1C",
"CNC(=O)C(C)NCc1cc(=O)c(O)cn1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,721 | {
"selfies": [
"[C][N][C]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][C][C][C][C][C][Cl]",
"[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Cl]"
],
"smiles": [
"CNC",
"O=S(=O)(Cl)CCCCCCCl",
"CN(C)S(=O)(=O)CCCCCCCl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
70,722 | {
"selfies": [
"[C][C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][=N]",
"[O][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][NH1][Ring1][#C]",
"[C][C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][N]"
],
"smiles": [
"CCn1c(C2CC2)nc2ccc(Br)cc21",
"O=c1cc(OCc2ccc(Cl)cc2)cc[nH]1",
"CCn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
70,723 | {
"selfies": [
"[C][C][Branch1][C][O][Branch1][Ring2][C][C][O][C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][Branch2][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][#Branch2]"
],
"smiles": [
"CC(O)(CCO)COc1ccc(N2CCC(CCc3ccc(OC(F)(F)F)cc3)CC2)cc1",
"Cc1ccc(S(=O)(=O)Cl)cc1",
"Cc1ccc(S(=O)(=O)OCCC(C)(O)COc2ccc(N3CCC(CCc4ccc(OC(F)(F)F)cc4)CC3)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,724 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][Branch1][=N][C][C][C][C][C][C][Branch1][C][O][C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Branch1][C][C][C][C][C][C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CCOC(=O)CN(C1CCCCC(O)C1)S(=O)(=O)c1ccc2ccccc2c1",
"CS(=O)(=O)Cl",
"CCOC(=O)CN(C1CCCCC(OS(C)(=O)=O)C1)S(=O)(=O)c1ccc2ccccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,725 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N]",
"[N][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N]"
],
"smiles": [
"CC(C)(C)OC(=O)NC1CC(OC(=O)c2ccccc2)C1",
"NC1CC(OC(=O)c2ccccc2)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,726 | {
"selfies": [
"[C][C][C][=Branch1][C][=O][Cl]",
"[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][C][Ring1][=Branch2][Ring1][Branch1]",
"[C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][C][Ring1][N][Ring1][#C]"
],
"smiles": [
"CCC(=O)Cl",
"COc1cccc2c1CCC1NCCC21",
"CCC(=O)N1CCC2c3cccc(OC)c3CCC21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,727 | {
"selfies": [
"[C][N]",
"[O][=C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][=C][Ring1][P]",
"[C][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][=C][Ring1][P]"
],
"smiles": [
"CN",
"O=Cc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1",
"CNCc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCO .",
"role": "assistant"
}
] | |
70,728 | {
"selfies": [
"[C][N][C][C][O]",
"[O][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]",
"[C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]"
],
"smiles": [
"CNCCO",
"O=Cc1ccc(F)cc1[N+](=O)[O-]",
"CN(CCO)c1ccc(C=O)c([N+](=O)[O-])c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
70,729 | {
"selfies": [
"[Br][Br]",
"[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch1][Ring1][C][Br][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"BrBr",
"CC(=O)c1ccccc1",
"O=C(CBr)c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CC(=O)O.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,730 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Branch1][Branch1][C][Ring2][Ring1][Branch1][O][Ring2][Ring1][Ring2]",
"[N][#C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][Branch1][C][O][C][N][C][C][C][N][Branch1][Ring2][C][C][N][C][C][Branch1][Ring2][C][Ring1][O][O][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)NCCN1CC2CN(CC(O)COc3ccc(C#N)cc3)CC(C1)O2",
"N#Cc1ccc(OCC(O)CN2CC3CN(CCN)CC(C2)O3)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,731 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]"
],
"smiles": [
"COC(=O)c1cc2ccc(Br)cc2s1",
"O=C(O)c1cc2ccc(Br)cc2s1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
70,732 | {
"selfies": [
"[C][C][C][C][C][C][C][N]",
"[C][N][C][Branch1][Ring1][C][=O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]",
"[C][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C]"
],
"smiles": [
"CCCCCCCN",
"Cn1c(C=O)cc2ccccc21",
"CCCCCCCNCc1cc2ccccc2n1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCO.O .",
"role": "assistant"
}
] | |
70,733 | {
"selfies": [
"[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][F][=C][Ring1][#Branch2]",
"[N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][F]"
],
"smiles": [
"O=C(O)CNC(=O)c1ccc([N+](=O)[O-])c(F)c1",
"Nc1ccc(C(=O)NCC(=O)O)cc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CC(=O)O.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,734 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N]",
"[C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][=C][C][Branch1][C][O][=N][C][=C][Ring1][#Branch1][C][Ring1][O]"
],
"smiles": [
"COc1cc2c(cn1)CN(C(C)(C)C)CC2",
"CC(C)(C)N1CCc2cc(O)ncc2C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CC(=O)O .",
"role": "assistant"
}
] | |
70,735 | {
"selfies": [
"[O][=C][C][C][S][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl]",
"[N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][S][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][Cl][=C][Ring2][Ring1][C]"
],
"smiles": [
"O=C1C2CSCCN2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl",
"Nc1ccc(N2C(=O)C3CSCCN3C2=O)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,736 | {
"selfies": [
"[C][O][C][=C][C][=C][C][=C][C][=C][Branch1][Ring1][C][O][C][Ring1][Branch2][=C][Ring1][N]",
"[O][=S][Branch1][C][Cl][Cl]",
"[C][O][C][=C][C][=C][C][=C][C][=C][Branch1][Ring1][C][Cl][C][Ring1][Branch2][=C][Ring1][N]"
],
"smiles": [
"COc1ccc2cccc(CO)c2c1",
"O=S(Cl)Cl",
"COc1ccc2cccc(CCl)c2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCOC(C)=O.ClCCl .",
"role": "assistant"
}
] | |
70,737 | {
"selfies": [
"[C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C]",
"[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][Br][=C][Ring1][=Branch2][O]",
"[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][Br][=C][Ring1][=Branch2][O][C]"
],
"smiles": [
"COS(=O)(=O)OC",
"COc1ccc(C=O)c(Br)c1O",
"COc1ccc(C=O)c(Br)c1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
70,738 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][C][N][C][C][Ring1][Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"c1cc2c(o1)CCNCC2",
"CC(C)(C)OC(=O)N1CCc2ccoc2CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CC(C)=O.O .",
"role": "assistant"
}
] | |
70,739 | {
"selfies": [
"[O][=C][Branch2][Ring2][#C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][P][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring2][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring1][P][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"O=C(CC(C(=O)OCc1ccccc1)N1C=CN(c2ccc(-c3ccccc3)cc2)C1)OCc1ccccc1",
"O=C(CC(C(=O)O)N1C=CN(c2ccc(-c3ccccc3)cc2)C1)OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,740 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2][=C][S][Ring1][P][C][C][Ring2][Ring1][#Branch1]",
"[O][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][O][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N3CCCC4CCCCC43)cs2)CC1",
"O=C(c1csc(C2CCNCC2)c1)N1CCCC2CCCCC21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,741 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][Ring1][#Branch2][=C][Ring1][P][O]",
"[O][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][Ring1][#Branch2][=C][Ring1][P][O]"
],
"smiles": [
"CCOC(=O)c1c(C(Cl)Cl)nc2c(C(F)(F)F)cccc2c1O",
"O=C(O)c1c(C(Cl)Cl)nc2c(C(F)(F)F)cccc2c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,742 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1]",
"[N][#C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][=C][Ring1][#C]"
],
"smiles": [
"Cc1ccc(F)nc1",
"N#Cc1cccc(O)c1",
"Cc1ccc(Oc2cccc(C#N)c2)nc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CN(C)C=O .",
"role": "assistant"
}
] | |
70,743 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][Branch2][Ring1][=Branch1][C][N][Branch1][Branch1][C][C][C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch2][Ring1][=C][C][N][Branch1][=N][C][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CS(=O)(=O)Cl",
"CC(CN(CCCO)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1",
"CC(CN(CCCOS(C)(=O)=O)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,744 | {
"selfies": [
"[C][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][C][C][Ring1][Ring1]",
"[C][N][Branch1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][C][C][Ring1][Ring1]"
],
"smiles": [
"CN(c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1",
"CN(c1cc(Cl)c(F)cc1N)C1CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,745 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Cl]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[N][#C][C][=C][C][=C][Branch1][Ring1][C][Br][C][Branch1][C][Cl][=C][Ring1][=Branch2]"
],
"smiles": [
"Cc1ccc(C#N)cc1Cl",
"O=C1CCC(=O)N1Br",
"N#Cc1ccc(CBr)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClC(Cl)(Cl)Cl .",
"role": "assistant"
}
] | |
70,746 | {
"selfies": [
"[C][C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][Ring1][N][C][=N][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][=C][=N][O][Ring2][Ring1][Ring1]",
"[C][C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][Ring1][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][#Branch2][=N][O][Ring1][#C]"
],
"smiles": [
"CCC(Oc1ccc(C(=O)C2CCC2)cc1)c1nc(-c2ccc(C(=O)OC(C)(C)C)c(F)c2)no1",
"CCC(Oc1ccc(C(=O)C2CCC2)cc1)c1nc(-c2ccc(C(=O)O)c(F)c2)no1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,747 | {
"selfies": [
"[C][C][O]",
"[O][=C][Branch1][C][O][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][C][Cl]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][C][Cl]"
],
"smiles": [
"CCO",
"O=C(O)Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl",
"CCOC(=O)Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,748 | {
"selfies": [
"[C][C][#C][C][O][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1]",
"[C][C][Branch1][C][C][C][C][N][C][Ring1][=Branch1]",
"[C][C][#C][C][O][C][=C][C][Branch1][=C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][=N][C][=N][Ring1][=N]"
],
"smiles": [
"CC#CCOc1cc(Cl)ncn1",
"CC1(C)CCNC1",
"CC#CCOc1cc(N2CCC(C)(C)C2)ncn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
70,749 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2]",
"[C][C][Branch1][C][C][C][C][=C][C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][=C][N][=C][Ring1][O][N][C][Ring1][S][=O]"
],
"smiles": [
"CC(C)(C)OC(=O)C=Cc1cnc2c(c1)CC(C)(C)C(=O)N2",
"CC1(C)Cc2cc(C=CC(=O)O)cnc2NC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,750 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][Ring2][Ring1][Branch2]",
"[N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1]",
"[C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][#C][Ring2][Ring1][=C]"
],
"smiles": [
"CC1(C)CC(c2cccc(C(F)(F)F)c2)Nc2ccc(C(=O)O)cc21",
"NS(=O)(=O)C1CC1",
"CC1(C)CC(c2cccc(C(F)(F)F)c2)Nc2ccc(C(=O)NS(=O)(=O)C3CC3)cc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O.O .",
"role": "assistant"
}
] | |
70,751 | {
"selfies": [
"[C][C][Branch1][Ring1][C][O][C][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][Ring1][=Branch1][Ring1][=Branch2][C][C][Branch1][C][C][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2]",
"[C][C][Branch1][Ring1][C][=O][C][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][Ring1][=Branch1][Ring1][=Branch2][C][C][Branch1][C][C][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"CC(CO)C1CC=C2C3=C(CCC21C)C1(C)CCC(OC(=O)c2ccccc2)C(C)(C)C1CC3",
"CC(C=O)C1CC=C2C3=C(CCC21C)C1(C)CCC(OC(=O)c2ccccc2)C(C)(C)C1CC3"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,752 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CS(=O)(=O)Cl",
"OCCOc1ccccc1",
"CS(=O)(=O)OCCOc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
70,753 | {
"selfies": [
"[C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]",
"[N][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][N][Ring1][O][C][=Ring1][#C][=C][Ring2][Ring1][=Branch1]",
"[C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][N][Ring1][O][C][=Ring1][#C][=C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"Cc1cn(C)nc1C(=O)O",
"Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1",
"Cc1cn(C)nc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CC(=O)N(C)C .",
"role": "assistant"
}
] | |
70,754 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2]",
"[C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][C][N][C][C][Ring2][Ring1][Ring1]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(C(C)(C)C)c2)CC1",
"CC1(C(=O)Nc2cccc(C(C)(C)C)c2)CCNCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO .",
"role": "assistant"
}
] | |
70,755 | {
"selfies": [
"[C][C][Branch1][Ring2][N][=N+1][=N-1][C][=C][C][=C][C][=C][Ring1][=Branch1][Sn][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]",
"[C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Sn][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]"
],
"smiles": [
"CC(N=[N+]=[N-])c1ccccc1[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1",
"CC(N)c1ccccc1[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCOCC .",
"role": "assistant"
}
] | |
70,756 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1]",
"[F][C][C][Br]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCNCC1",
"FCCBr",
"CC(C)(C)OC(=O)N1CCN(CCF)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
70,757 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][Ring2][Ring1][N][=O][=C][Ring2][Ring2][Ring2]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][Ring2][Ring1][N][=O][=C][Ring2][Ring2][Ring2]"
],
"smiles": [
"COC(=O)c1cccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)c1",
"O=C(O)c1cccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,758 | {
"selfies": [
"[C][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][Cl][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1]",
"[C][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][Cl][=C][Ring1][=N][N]"
],
"smiles": [
"COc1nc(N2CCOCC2)cc(Cl)c1[N+](=O)[O-]",
"COc1nc(N2CCOCC2)cc(Cl)c1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "Cl .",
"role": "assistant"
}
] | |
70,759 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][C][Br][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][N]",
"[C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch1][=Branch2][C][C][C][C][N][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch2][Ring2][#Branch2][C][C][C][C][N][Branch2][Ring1][=C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring2][Branch1]"
],
"smiles": [
"CC(C)(C)c1cc(CBr)cc(C(C)(C)C)c1",
"CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCNC2)c1",
"CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CC#N.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,760 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O][S][Ring1][O]",
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][Cl][S][Ring1][O]"
],
"smiles": [
"CC(C)(C)c1ccc(C2CC2C(=O)O)s1",
"O=C(Cl)C(=O)Cl",
"CC(C)(C)c1ccc(C2CC2C(=O)Cl)s1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCCCCC .",
"role": "assistant"
}
] | |
70,761 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][S][C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][=Branch2][O][C][C][C][N][C][Ring1][Ring2][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1",
"CC(C)(C)[Si](OCC1CNC1)(c1ccccc1)c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
70,762 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CCOC(=O)C1CCCNC1",
"CCOC(=O)C1CCCN(C(=O)OC(C)(C)C)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
70,763 | {
"selfies": [
"[C][C][C][#C][C][O][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1]",
"[O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F]",
"[C][C][C][#C][C][O][C][=C][C][Branch1][=C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=N][C][=N][Ring1][#C]"
],
"smiles": [
"CCC#CCOc1cc(Cl)ncn1",
"Oc1cccc(F)c1F",
"CCC#CCOc1cc(Oc2cccc(F)c2F)ncn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,764 | {
"selfies": [
"[C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][Ring1][P]",
"[C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][Ring1][S]"
],
"smiles": [
"C=Cc1cc(C(=O)OC)cc(C(=O)N(C)CCC)c1",
"C=Cc1cc(C(=O)O)cc(C(=O)N(C)CCC)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,765 | {
"selfies": [
"[C][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]",
"[C][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[C][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][N][C][=C][C][=Branch1][C][=O][O][C][O][C][C][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]"
],
"smiles": [
"C=CC(=O)OCCCCCCOc1ccc(C(=O)O)cc1",
"CCOCOC(=O)C=Cc1ccc(O)cc1",
"C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C=CC(=O)OCOCC)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
70,766 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]"
],
"smiles": [
"CS(=O)(=O)Cl",
"c1ccc(CN2CCNCC2)cc1",
"CS(=O)(=O)N1CCN(Cc2ccccc2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,767 | {
"selfies": [
"[C][C][N]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CCN",
"O=C(Cl)c1ccc(F)cc1",
"CCNC(=O)c1ccc(F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl.O .",
"role": "assistant"
}
] | |
70,768 | {
"selfies": [
"[N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][N][Ring1][#C][C][C][C][C][C][O][Ring1][=Branch1]",
"[N][#C][C][=C][C][=C][NH1][N][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Ring1][=C][=C][Ring2][Ring1][C]"
],
"smiles": [
"N#Cc1ccc2c(c1)c(-c1cc3ccccc3o1)nn2C1CCCCO1",
"N#Cc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,769 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][=C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][#C]",
"[O][C][=C][C][=C][Branch1][=C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][#C]"
],
"smiles": [
"COc1ccc(Cc2cc(Br)ccc2Cl)cc1",
"Oc1ccc(Cc2cc(Br)ccc2Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,770 | {
"selfies": [
"[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][C][#N]",
"[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][C][N]"
],
"smiles": [
"CC1CCCC(C)N1CC#N",
"CC1CCCC(C)N1CCN"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
70,771 | {
"selfies": [
"[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][=C][Ring1][=Branch2][O][C][C][O][Ring1][O]",
"[N][C][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O]",
"[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][=C][Ring2][Ring1][Ring2][O][C][C][O][Ring2][Ring1][=Branch1]"
],
"smiles": [
"CNS(=O)(=O)c1cc2c(c(C(=O)Cl)c1)OCCO2",
"NC1CCN(C2CCCCC2)C1",
"CNS(=O)(=O)c1cc2c(c(C(=O)NC3CCN(C4CCCCC4)C3)c1)OCCO2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)O.O .",
"role": "assistant"
}
] | |
70,772 | {
"selfies": [
"[N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][O]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]"
],
"smiles": [
"NC1CC2CCC1C2O",
"O=S(=O)(Cl)c1ccc(Cl)cc1",
"O=S(=O)(NC1CC2CCC1C2O)c1ccc(Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,773 | {
"selfies": [
"[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F]",
"[O][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][F]"
],
"smiles": [
"BrCc1ccccc1",
"O=Cc1ccc(O)cc1F",
"O=Cc1ccc(OCc2ccccc2)cc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,774 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[O][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"OCCc1c[nH]c2ccccc12",
"CC(C)(C)[Si](C)(C)OCCc1c[nH]c2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCOC(C)=O.CN(C)C=O .",
"role": "assistant"
}
] | |
70,775 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][Ring1][=C][N][Ring2][Ring1][Branch1][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][N][C][Branch2][Ring1][#Branch2][N][C][=N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][Ring1][=C][=N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][O]"
],
"smiles": [
"COC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C(C)C",
"CC(C)n1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2cc(C(=O)O)ccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
70,776 | {
"selfies": [
"[C][C][Branch1][C][C][N]",
"[C][N][Branch1][C][C][C][C][Cl]",
"[C][C][Branch1][C][C][N][C][C][N][Branch1][C][C][C]"
],
"smiles": [
"CC(C)N",
"CN(C)CCCl",
"CC(C)NCCN(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be O .",
"role": "assistant"
}
] | |
70,777 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[N][C][C][C][F]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][F]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"NCCCF",
"CC(C)(C)OC(=O)NCCCF"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,778 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][O]",
"[C][O][C][C][N]",
"[C][O][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][O]"
],
"smiles": [
"COC(=O)c1ncc2c(=O)n(Cc3ccc(OC)cc3OC)ccc2c1O",
"COCCN",
"COCCNC(=O)c1ncc2c(=O)n(Cc3ccc(OC)cc3OC)ccc2c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCO .",
"role": "assistant"
}
] | |
70,779 | {
"selfies": [
"[C][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]",
"[C][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][C][Branch1][C][N][=C][Ring1][=Branch2]"
],
"smiles": [
"Cc1cc(C)c(Br)c([N+](=O)[O-])c1",
"Cc1cc(C)c(Br)c(N)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
70,780 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Br]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][Br]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"CC(C)c1cc(O)ccc1Br",
"CC(C)c1cc(O[Si](C)(C)C(C)(C)C)ccc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CN(C)C=O.O .",
"role": "assistant"
}
] | |
70,781 | {
"selfies": [
"[C][N][C]",
"[O][=C][Branch1][C][Cl][C][Branch1][C][Br][C][C][C][Br]",
"[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][Br][C][C][C][Br]"
],
"smiles": [
"CNC",
"O=C(Cl)C(Br)CCCBr",
"CN(C)C(=O)C(Br)CCCBr"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,782 | {
"selfies": [
"[N][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[O][=C][C][Branch1][P][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Cl][C][C][N][Ring1][#C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1]",
"[N][#C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][#Branch1][C][C][C][C][N][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring1][N][=O][C][Branch1][C][Cl][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]"
],
"smiles": [
"N#Cc1ccc(F)cc1",
"O=C1C(Cc2c(Cl)cc(O)cc2Cl)CCN1N1CCC(O)CC1",
"N#Cc1ccc(Oc2cc(Cl)c(CC3CCN(N4CCC(O)CC4)C3=O)c(Cl)c2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O.CS(C)=O .",
"role": "assistant"
}
] | |
70,783 | {
"selfies": [
"[C][=C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][=C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=C][Branch1][C][C][C][C][=Branch1][C][=O][O]"
],
"smiles": [
"C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)C(C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)CC2(C)CC(=O)OC(C)(C)C",
"C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)C(C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)CC2(C)CC(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1COCCO1.Cl .",
"role": "assistant"
}
] | |
70,784 | {
"selfies": [
"[C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][C][N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][C][=C][C][Ring2][Ring1][Branch1][=O][=C][C][=N][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Ring1]",
"[C][O][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][N][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2][C][=C][C][Ring1][=C][=O][=C][C][=N][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]"
],
"smiles": [
"COc1ccc2c(OCCn3cc(-c4cccc(CNC(=O)OC(C)(C)C)c4)ccc3=O)ccnc2c1",
"COc1ccc2c(OCCn3cc(-c4cccc(CN)c4)ccc3=O)ccnc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCOC(C)=O.Cl .",
"role": "assistant"
}
] | |
70,785 | {
"selfies": [
"[Br][Br]",
"[O][=C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][C][Br][Br]",
"[O][=C][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][Branch1][C][Br][Br]"
],
"smiles": [
"BrBr",
"O=C1Nc2ncccc2C1(Br)Br",
"O=C1Nc2ncc(Br)cc2C1(Br)Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)O.O .",
"role": "assistant"
}
] | |
70,786 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][=C][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=N][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][Branch2]",
"[O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][=C][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=N][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][Branch2]"
],
"smiles": [
"CCOC(=O)Cc1cc2c(N=C3SCC4Cc5ccccc5CN34)cccc2cn1",
"O=C(O)Cc1cc2c(N=C3SCC4Cc5ccccc5CN34)cccc2cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "Cl .",
"role": "assistant"
}
] | |
70,787 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][O][C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][=N][C][Ring1][#C][=Ring1][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][O][C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=N][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"COC(=O)c1cccc2oc(C3CCNCC3)nc12",
"COC(=O)c1cccc2oc(C3CCN(C(=O)OC(C)(C)C)CC3)nc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,788 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][C][O][C][O][C][Ring1][Ring1][C][Ring1][=Branch2]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring1][Ring1][C][Ring1][P]"
],
"smiles": [
"COC(=O)C1(O)CC(O)C2OC2C1",
"O=C(Cl)c1ccccc1",
"COC(=O)C1(O)CC(OC(=O)c2ccccc2)C2OC2C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,789 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[N-1][=N+1][=N][C][C][C][C][C][C][Ring1][=Branch1][O]",
"[N-1][=N+1][=N][C][C][C][C][C][C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]"
],
"smiles": [
"O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1",
"[N-]=[N+]=NC1CCCCC1O",
"[N-]=[N+]=NC1CCCCC1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,790 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#C]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][O]"
],
"smiles": [
"COC(=O)C1CN(C(=O)OC(C)(C)C)CC(F)(F)C1",
"CC(C)(C)OC(=O)N1CC(C(=O)O)CC(F)(F)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CO .",
"role": "assistant"
}
] | |
70,791 | {
"selfies": [
"[O][=S][Branch1][C][Cl][Cl]",
"[O][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][O]",
"[O][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][Cl]"
],
"smiles": [
"O=S(Cl)Cl",
"O=c1[nH]c2ccc(Cl)cc2n1CCO",
"O=c1[nH]c2ccc(Cl)cc2n1CCCl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,792 | {
"selfies": [
"[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]",
"[C][O][C][=C][C][Branch2][Ring1][=C][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][C][Ring1][S][=C][C][=C][Ring2][Ring1][=Branch1][N]",
"[C][C][O][C][=C][C][=C][Branch2][=Branch1][=Branch1][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=N][C][Branch2][Ring2][=N][N][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][O][C][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]"
],
"smiles": [
"CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F",
"COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1N",
"CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCC(N5CCN(S(C)(=O)=O)CC5)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CC(C)O .",
"role": "assistant"
}
] | |
70,793 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][O][C][O][Ring1][Branch2]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][O][C][O][Ring1][Branch2]"
],
"smiles": [
"CCOC(=O)c1cc2cc3c(cc2[nH]1)OCO3",
"O=C(O)c1cc2cc3c(cc2[nH]1)OCO3"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCO .",
"role": "assistant"
}
] | |
70,794 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C]",
"[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][N][Ring1][Branch2][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]"
],
"smiles": [
"CCOC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C",
"Cc1c(C(=O)O)cnn1-c1ncc(Cl)cc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,795 | {
"selfies": [
"[C][=C][C][Br]",
"[O][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C]",
"[C][=C][C][O][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C]"
],
"smiles": [
"C=CCBr",
"Oc1ccc(-c2nc3ccccc3o2)cc1",
"C=CCOc1ccc(-c2nc3ccccc3o2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O.CN1CCCC1=O .",
"role": "assistant"
}
] | |
70,796 | {
"selfies": [
"[N][#C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][C][Ring1][N]",
"[N][#C][C][=C][Branch1][S][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][N][=C][Ring1][Branch2][C][=C][C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Ring2][Ring1][Branch2][=Ring1][O]",
"[N][#C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][=C][Ring2][Ring1][Branch1][C][=C][C][N][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Ring2][Ring2][Branch1][=Ring1][O]"
],
"smiles": [
"N#CC1(c2cccc(C(=O)O)c2)CC1",
"N#Cc1c(Oc2ccc(F)c(N)c2)ccc2nc(NC(=O)C3CC3)sc12",
"N#Cc1c(Oc2ccc(F)c(NC(=O)c3cccc(C4(C#N)CC4)c3)c2)ccc2nc(NC(=O)C3CC3)sc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,797 | {
"selfies": [
"[C][C][#C][C][C][O]",
"[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1]",
"[C][C][#C][C][C][O][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=N][Ring1][=N]"
],
"smiles": [
"CC#CCCO",
"Fc1ccccc1-c1cc(Cl)ncn1",
"CC#CCCOc1cc(-c2ccccc2F)ncn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CN(C)C=O .",
"role": "assistant"
}
] | |
70,798 | {
"selfies": [
"[C][C][=C][C][Branch1][=Branch2][O][C][C][=C][Branch1][C][Cl][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=N][O]",
"[O][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2]",
"[C][C][=C][C][Branch1][=Branch2][O][C][C][=C][Branch1][C][Cl][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=N][O][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2]"
],
"smiles": [
"Cc1cc(OCC=C(Cl)Cl)cc(Cl)c1O",
"OCCCCOc1ccc(C(F)(F)F)cn1",
"Cc1cc(OCC=C(Cl)Cl)cc(Cl)c1OCCCCOc1ccc(C(F)(F)F)cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
70,799 | {
"selfies": [
"[C][=C][C][=C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][C][Branch1][C][C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][=O]",
"[C][N]",
"[C][=C][C][=C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][C][Branch1][C][C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][N][C]"
],
"smiles": [
"C=CC=CC(C)C(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)=CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C=O",
"CN",
"C=CC=CC(C)C(O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)=CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CNC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CCOC(C)=O .",
"role": "assistant"
}
] |