id
int64 0
71k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
70,900 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][#C][C][C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][=N][O][Ring1][#C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]",
"[N][C][Branch2][Ring1][#C][C][C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][=N][O][Ring1][#C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)NC(CCc1nc(-c2ccc3c(c2)CC(=O)N3)no1)Cc1ccc(C(F)(F)F)cc1",
"NC(CCc1nc(-c2ccc3c(c2)CC(=O)N3)no1)Cc1ccc(C(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": "ClCCl .",
"role": "assistant"
}
] | |
70,901 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CCOC(=O)C1CCN(C(C)=O)C1c1ccc([N+](=O)[O-])cc1",
"CCOC(=O)C1CCN(C(C)=O)C1c1ccc(N)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>",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,902 | {
"selfies": [
"[C][C][O][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][C][N]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][O][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O]"
],
"smiles": [
"CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCN",
"CS(=O)(=O)Cl",
"CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1CCNS(C)(=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>>><molecule_2d>",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,903 | {
"selfies": [
"[C][C][=C][C][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[Br][C][C][=C][C][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2]"
],
"smiles": [
"Cc1ccc2ccoc2c1",
"O=C1CCC(=O)N1Br",
"BrCc1ccc2ccoc2c1"
]
} | [
{
"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)Cl .",
"role": "assistant"
}
] | |
70,904 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][N][N][=N][C][Branch2][=Branch1][Ring1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][O][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][C][C][Ring2][Ring1][=N][N][Ring2][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring2][#Branch2]",
"[C][C][Branch1][C][O][C][N][N][=N][C][Branch2][=Branch1][Ring1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][O][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][C][C][Ring2][Ring1][=N][N][Ring2][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring2][#Branch2]"
],
"smiles": [
"CC(=O)Cn1nnc(C2CC3(c4ccccc4)C(OCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CCC2N3Cc2ccccc2)n1",
"CC(O)Cn1nnc(C2CC3(c4ccccc4)C(OCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CCC2N3Cc2ccccc2)n1"
]
} | [
{
"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.CO .",
"role": "assistant"
}
] | |
70,905 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][N]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][N][S][Branch1][C][C][=Branch1][C][=O][=O]"
],
"smiles": [
"COc1ccc(CCNC(=O)C(F)(F)F)cc1N",
"CS(=O)(=O)Cl",
"COc1ccc(CCNC(=O)C(F)(F)F)cc1NS(C)(=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": "<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"
}
] | |
70,906 | {
"selfies": [
"[C][N][C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring1][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N]",
"[C][N][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][N][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]"
],
"smiles": [
"Cn1c(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)nc2ccccc21",
"Cn1c(-c2cc(N3CCNCC3)ccc2F)nc2ccccc21"
]
} | [
{
"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": "CCOCC.ClCCl .",
"role": "assistant"
}
] | |
70,907 | {
"selfies": [
"[C][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][NH1][N][=C][C][Ring1][N][=Ring1][Branch1]",
"[C][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][N][C][NH1][N][=C][C][Ring1][#Branch2][=Ring1][Branch1]"
],
"smiles": [
"CN(C)CCc1ccc([N+](=O)[O-])c2[nH]ncc12",
"CN(C)CCc1ccc(N)c2[nH]ncc12"
]
} | [
{
"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 C1CCOC1 .",
"role": "assistant"
}
] | |
70,908 | {
"selfies": [
"[C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]",
"[O][=C][Branch1][C][O-1][O]",
"[NH3+1][O]",
"[C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][N][Ring2][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]"
],
"smiles": [
"Cc1nc(C2CC2)c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n1-c1ccc2c(c1)CC(C)O2",
"O=C([O-])O",
"[NH3+]O",
"Cc1nc(C2CC2)c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n1-c1ccc2c(c1)CC(C)O2"
]
} | [
{
"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>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
70,909 | {
"selfies": [
"[C][O][C][=C][C][Branch1][C][N][=C][C][Branch1][C][O][=C][Ring1][Branch2]",
"[N][#C][C][=C][N][=C][C][=C][C][=C][Branch1][Branch2][C][Ring1][=Branch1][=C][Ring1][#Branch2][Cl][C][C][S][Ring1][Branch2][=Branch1][C][=O][=O]",
"[C][O][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring1][#C][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][=Branch1][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"COc1cc(N)cc(O)c1",
"N#Cc1cnc2ccc3c(c2c1Cl)CCS3(=O)=O",
"COc1cc(O)cc(Nc2c(C#N)cnc3ccc4c(c23)CCS4(=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 provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(C)O .",
"role": "assistant"
}
] | |
70,910 | {
"selfies": [
"[Br][P][Branch1][C][Br][Br]",
"[C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C]",
"[C][O][C][=C][C][Branch1][Ring1][C][Br][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C]"
],
"smiles": [
"BrP(Br)Br",
"COc1cc(CO)cc(OC)c1OC",
"COc1cc(CBr)cc(OC)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": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,911 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Br]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O]",
"[C][C][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C]"
],
"smiles": [
"CCOC(=O)CBr",
"COc1cccc(OC)c1O",
"CCOC(=O)COc1c(OC)cccc1OC"
]
} | [
{
"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": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,912 | {
"selfies": [
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]",
"[O][=N+1][Branch1][C][O-1][O]",
"[C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"Cc1ccccc1[N+](=O)[O-]",
"O=[N+]([O-])O",
"Cc1cccc([N+](=O)[O-])c1[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": "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"
}
] | |
70,913 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][O][N]",
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=Branch2][N]"
],
"smiles": [
"COC(=O)c1cc([N+](=O)[O-])c(N)c(F)c1N",
"COC(=O)c1cc(N)c(N)c(F)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": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO .",
"role": "assistant"
}
] | |
70,914 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][Cl][=C][C][=C][Ring1][#C][N][Ring2][Ring1][C][C][C][C][C][Ring1][Ring1]",
"[N][C][C][O]",
"[C][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][=C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][=C][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][Branch1][C][C][C][C][Ring1][Ring1]"
],
"smiles": [
"CC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(=O)Cl)ccc2n1CC1CC1",
"NCCO",
"CC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C(=O)NCCO)ccc2n1CC1CC1"
]
} | [
{
"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"
}
] | |
70,915 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C][Br]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][C][Br][C][Branch1][C][Br][=C][Ring1][=Branch2]"
],
"smiles": [
"Cc1ccc(-c2ccccc2C#N)cc1Br",
"O=C1CCC(=O)N1Br",
"N#Cc1ccccc1-c1ccc(CBr)c(Br)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": "ClC(Cl)(Cl)Cl .",
"role": "assistant"
}
] | |
70,916 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]"
],
"smiles": [
"COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1",
"COC(=O)C(C)(C)c1ccc(N)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>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,917 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][#Branch1][C][=C][Ring1][#C]"
],
"smiles": [
"COC(=O)c1ccc(OCC2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1",
"COC(=O)c1ccc(OCC2CC(F)(F)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": "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"
}
] | |
70,918 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][N][=C][Ring1][S]"
],
"smiles": [
"CS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1",
"CS(=O)(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)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": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "[Na+].[OH-] .",
"role": "assistant"
}
] | |
70,919 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1]"
],
"smiles": [
"CS(=O)(=O)c1ccc(-c2cccn2-c2ccc(F)cc2)cc1",
"O=C1CCC(=O)N1Br",
"CS(=O)(=O)c1ccc(-c2ccc(Br)n2-c2ccc(F)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 .",
"role": "assistant"
}
] | |
70,920 | {
"selfies": [
"[C][I]",
"[N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N]"
],
"smiles": [
"CI",
"Nc1ncccc1C(=O)O",
"COC(=O)c1cccnc1N"
]
} | [
{
"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: CS(C)=O .",
"role": "assistant"
}
] | |
70,921 | {
"selfies": [
"[C][O]",
"[O][=C][Branch1][C][O][C][=C][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S]",
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S]"
],
"smiles": [
"CO",
"O=C(O)c1cnc(NC2CCCCC2)c([N+](=O)[O-])c1",
"COC(=O)c1cnc(NC2CCCCC2)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": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,922 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][P]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"COC(=O)c1ccc(CCCN2C(=O)CCC2CCC(Cc2ccccc2)O[Si](C)(C)C(C)(C)C)cc1",
"COC(=O)c1ccc(CCCN2C(=O)CCC2CCC(O)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": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,923 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][O]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=C][C][=N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][P][Ring1][Branch2][C][C][Ring2][Ring1][#Branch1]"
],
"smiles": [
"CCOC(=O)c1cn2c(-c3cccs3)cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1",
"CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccs3)n3cc(C(=O)O)nc23)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 C1CCOC1 .",
"role": "assistant"
}
] | |
70,924 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][N][C][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][=N][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N]",
"[C][O][C][=Branch1][C][=O][C][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][N][C][=N][C][Branch2][Ring1][Ring2][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][=N][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][C][C][C][C][N][C][Ring1][=Branch1]"
],
"smiles": [
"COC(=O)C(NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1)C1CCCN(C(=O)OC(C)(C)C)C1",
"COC(=O)C(NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1)C1CCCNC1"
]
} | [
{
"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": "ClCCl .",
"role": "assistant"
}
] | |
70,925 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"CCOC(=O)C1=Cc2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2OC1C(F)(F)F",
"O=C(O)C1=Cc2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2OC1C(F)(F)F"
]
} | [
{
"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 C1CCOC1.O .",
"role": "assistant"
}
] | |
70,926 | {
"selfies": [
"[C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][C][C][C][N][=N+1][=N-1][C][=C][Ring2][Ring1][Ring2]",
"[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[N-1][=N+1][=N][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)OCCCCCCCN=[N+]=[N-])cc1",
"Oc1ccc(Cl)cc1",
"[N-]=[N+]=NCCCCCCCOc1ccc(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": "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"
}
] | |
70,927 | {
"selfies": [
"[C][C][C][C][C][N][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C]",
"[F][C][=C][C][=C][C][Branch1][Ring1][C][Br][=C][Ring1][Branch2]",
"[C][C][C][C][C][N][=C][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][S][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C]"
],
"smiles": [
"CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1",
"Fc1cccc(CBr)c1",
"CCCCc1nc(C)n(Cc2cccc(F)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)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": "CCOC(C)=O .",
"role": "assistant"
}
] | |
70,928 | {
"selfies": [
"[C][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1]",
"[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]",
"[C][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=N][C][=N][Ring1][#C]"
],
"smiles": [
"COC=C(C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1",
"N#Cc1ccccc1O",
"COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)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": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "Cc1ccccc1.O .",
"role": "assistant"
}
] | |
70,929 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][Ring1][=Branch2]",
"[O][C][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C]",
"[C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][O][C][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1]"
],
"smiles": [
"Cc1ccc(C(=O)Cl)cc1",
"OC1CCN(Cc2cccc(F)c2)CC1",
"Cc1ccc(C(=O)OC2CCN(Cc3cccc(F)c3)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 Cc1ccccc1 .",
"role": "assistant"
}
] | |
70,930 | {
"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][Branch1][C][O][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][O][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][Branch1][C][O][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"NC1C(O)CC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1",
"CC(C)(C)OC(=O)NC1C(O)CC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1"
]
} | [
{
"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"
}
] | |
70,931 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][#C]",
"[C][O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O]",
"[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][N][=Ring1][=Branch2][=C][Ring2][Ring1][Ring1][N][=C][N][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O]"
],
"smiles": [
"CC(C)(C)c1cc(NC(=O)Oc2ccccc2)no1",
"COc1cc2c(Oc3cccc(N)c3)ncnc2cc1O",
"COc1cc2c(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1O"
]
} | [
{
"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"
}
] | |
70,932 | {
"selfies": [
"[C][C][C][O][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][P][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][F][=C][Ring1][=Branch2][=N][C][Branch1][C][N][=N][Ring1][S]",
"[N][N]",
"[C][C][C][O][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][P][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][C][N][=N][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch1][C][N][=N][Ring1][P]"
],
"smiles": [
"CC1COC(CNS(=O)(=O)c2ccccc2)CN1c1cc(-c2ccc(C#N)c(F)c2)nc(N)n1",
"NN",
"CC1COC(CNS(=O)(=O)c2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1"
]
} | [
{
"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 CCO .",
"role": "assistant"
}
] | |
70,933 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1]",
"[C][C][C][C][C][C][O][Ring1][Ring1]",
"[C][C][C][C][C][Branch1][C][O][C][N][C][C][N][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"CC1(C)CC(c2ccccc2N2CCNCC2)CC(C)(C)C1",
"CCCCC1CO1",
"CCCCC(O)CN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)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 provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(C)O .",
"role": "assistant"
}
] | |
70,934 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][Branch1][Branch2][C][=N][C][=N][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O]",
"[O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][N][Branch1][Branch2][C][=N][C][=N][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][F][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1]"
],
"smiles": [
"COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(F)cc2F)c(OC)c1",
"OC1CCCCC1c1ccccc1",
"COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(OC3CCCCC3c3ccccc3)cc2F)c(OC)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: CS(C)=O .",
"role": "assistant"
}
] | |
70,935 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][Branch2][Ring2][P][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[N][C][=C][C][Branch2][Ring2][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"O=[N+]([O-])c1cc(C(c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)ccc1Nc1ccccc1",
"Nc1cc(C(c2ccc(Nc3ccccc3)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1Nc1ccccc1"
]
} | [
{
"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"
}
] | |
70,936 | {
"selfies": [
"[C][N][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]",
"[C][N][Branch2][Ring1][=Branch2][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]"
],
"smiles": [
"CNCCN(C)S(=O)(=O)c1ccc(F)cc1",
"O=C(Cl)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1",
"CN(CCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)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> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClC(Cl)Cl.O .",
"role": "assistant"
}
] | |
70,937 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N]",
"[O][=C][Branch1][C][O][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N]"
],
"smiles": [
"CCOC(=O)c1cnn(Cc2ccccc2)c1",
"O=C(O)c1cnn(Cc2ccccc2)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 this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,938 | {
"selfies": [
"[F][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][F]",
"[O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][C][=C][C][=C][Branch1][=C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][=C][Ring1][#C]"
],
"smiles": [
"Fc1cc(Cl)cnc1F",
"Oc1ccc(O)cc1",
"Oc1ccc(Oc2ncc(Cl)cc2F)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 CS(C)=O .",
"role": "assistant"
}
] | |
70,939 | {
"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][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl]",
"[C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][Cl]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"Cc1ccc(N)cc1Cl",
"Cc1ccc(NC(=O)OC(C)(C)C)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": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,940 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Ring1][Branch1]",
"[C][I]",
"[C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CC(O)C1",
"CI",
"COC1CN(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": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,941 | {
"selfies": [
"[C][C][C][N][C][C][Branch1][C][C][O][Ring1][#Branch1]",
"[O][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring1][#C]"
],
"smiles": [
"CC1CNCC(C)O1",
"O=Cc1ccc(Br)cc1",
"CC1CN(Cc2ccc(Br)cc2)CC(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": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCCl .",
"role": "assistant"
}
] | |
70,942 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][Branch1][C][N][=C][Ring1][Branch2]"
],
"smiles": [
"COC(=O)c1ccc(I)c([N+](=O)[O-])c1",
"COC(=O)c1ccc(I)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": "<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 .",
"role": "assistant"
}
] | |
70,943 | {
"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][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][=N][C][C][C][N][C][C][Ring1][=Branch1]",
"[C][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][=N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CC1c2cccc(C(=O)O)c2C(=O)N1C1CCNCC1",
"CC1c2cccc(C(=O)O)c2C(=O)N1C1CCN(C(=O)OC(C)(C)C)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": "CCOCC.CO .",
"role": "assistant"
}
] | |
70,944 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][C][Branch2][Ring1][=C][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][=C][S][Ring1][#Branch2][C][=N][N][Ring1][#C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CCOC(=O)C=Cc1csc(-c2cnn(C(C)(C)C)c2-c2ccc(OC)cc2)n1",
"COc1ccc(-c2c(-c3nc(C=CC(=O)O)cs3)cnn2C(C)(C)C)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>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1.CO .",
"role": "assistant"
}
] | |
70,945 | {
"selfies": [
"[C][C][N][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][C][C][N][Ring1][#Branch2]",
"[N][#C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][F]",
"[N][#C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][C][C][N][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][C][C][Ring1][#Branch2]"
],
"smiles": [
"C1CN(C2COC2)CCN1",
"N#Cc1cc([N+](=O)[O-])ccc1F",
"N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C2COC2)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"
}
] | |
70,946 | {
"selfies": [
"[Br][Br]",
"[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N]",
"[O][=C][Branch1][Ring1][C][Br][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"BrBr",
"CC(=O)c1ccc(-c2ccc(Br)cc2)cc1",
"O=C(CBr)c1ccc(-c2ccc(Br)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.ClCCl .",
"role": "assistant"
}
] | |
70,947 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][C][O][C][C][N][=N][N][Branch1][Ring2][C][C][N][N][=Ring1][Branch2][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]",
"[Cl][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][O][C][O][C][C][N][=N][N][Branch1][#C][C][C][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][N][=Ring1][#C][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]"
],
"smiles": [
"CCOC(=O)C1=C(COCc2nnn(CCN)n2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl",
"Clc1cc(Cl)ncn1",
"CCOC(=O)C1=C(COCc2nnn(CCNc3cc(Cl)ncn3)n2)NC(C)=C(C(=O)OC)C1c1cccc(Cl)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": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CCO .",
"role": "assistant"
}
] | |
70,948 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=N][C][=C][C][Branch1][C][O][Branch1][Ring1][C][C][C][C][C][Branch1][C][C][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2][C][N][=C][Ring2][Ring1][P]",
"[C][C][C][Branch1][C][O][Branch2][Branch1][=Branch1][C][=C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][P][C][=N][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=N][Ring1][#Branch2][C][Branch1][C][C][=C][Ring1][P][C][=C][Ring2][Ring1][N][C][C][C]"
],
"smiles": [
"CCOC(=O)Cc1cnc(-c2ccc(C(CC)(CC)c3ccc(C=CC(O)(CC)CC)c(C)c3)cc2C)nc1",
"CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3ncc(CC(=O)O)cn3)c(C)c2)cc1C)CC"
]
} | [
{
"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"
}
] | |
70,949 | {
"selfies": [
"[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=N][O][C][C][O]",
"[C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring1][=N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"CC(C)c1cccc(-c2ccc(F)cc2)c1OCCO",
"COC(=O)C(=O)c1ccc(O)cc1",
"COC(=O)C(=O)c1ccc(OCCOc2c(-c3ccc(F)cc3)cccc2C(C)C)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> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,950 | {
"selfies": [
"[C][C][C][=C][N][=C][Branch2][Branch1][#Branch1][N][C][C][C][Branch2][Ring2][O][O][N][=C][C][C][N][Branch2][Ring1][=N][C][=C][C][Branch1][C][F][=C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C][F][C][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=C][N][=C][Ring2][Ring2][Ring2]",
"[C][C][C][=C][N][=C][Branch2][Ring2][#C][N][C][C][C][Branch2][Ring2][Ring1][O][N][=C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][F][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2][N][=C][Ring2][Ring1][S]"
],
"smiles": [
"CCc1cnc(N2CCC(ON=C3CCN(c4cc(F)c(CC(=O)OC(C)(C)C)cc4F)CC3)CC2)nc1",
"CCc1cnc(N2CCC(ON=C3CCN(c4cc(F)c(CC(=O)O)cc4F)CC3)CC2)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": "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"
}
] | |
70,951 | {
"selfies": [
"[Br][Br]",
"[C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][F]",
"[C][C][Branch1][C][C][Branch1][Ring1][C][F][C][=Branch1][C][=O][C][Br]"
],
"smiles": [
"BrBr",
"CC(=O)C(C)(C)CF",
"CC(C)(CF)C(=O)CBr"
]
} | [
{
"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": "O .",
"role": "assistant"
}
] | |
70,952 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][C][=Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][Branch1][Ring1][C][O][N][N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"CCOC(=O)c1cnn(C(C)(C)CO)c1C(F)(F)F",
"CC(C)(CO)n1ncc(C(=O)O)c1C(F)(F)F"
]
} | [
{
"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.O .",
"role": "assistant"
}
] | |
70,953 | {
"selfies": [
"[C][C][=Branch1][C][=O][Cl]",
"[N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(=O)Cl",
"Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1Nc1ccccc1",
"CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1Nc1ccccc1"
]
} | [
{
"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": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,954 | {
"selfies": [
"[C][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][=C][N][=C][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][Cl][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][N][C][C][=C][C][=C][C][Branch1][=C][N][=C][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][Cl]"
],
"smiles": [
"CN(Cc1ccc2c(ncn2C2CCCCO2)c1Cl)C(=O)OC(C)(C)C",
"CNCc1ccc2c(ncn2C2CCCCO2)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 this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,955 | {
"selfies": [
"[C][C][C][C][C][C][C][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C]",
"[O][=C][Branch1][Ring1][O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][C][C][C][C][C][C][S][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C]"
],
"smiles": [
"CCCCCCCSCc1nc2ccccc2c(OCc2ccccc2)c1C",
"O=C(OO)c1cccc(Cl)c1",
"CCCCCCCS(=O)Cc1nc2ccccc2c(OCc2ccccc2)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": "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"
}
] | |
70,956 | {
"selfies": [
"[C][C][O][C][C][N][Ring1][=Branch1]",
"[C][C][=N][N][=C][N][Ring1][Branch1][C][S][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][C][=Ring1][#Branch2][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][=Branch1][C]",
"[C][C][=N][N][=C][N][Ring1][Branch1][C][S][C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Ring1][#C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][O][C]"
],
"smiles": [
"C1COCCN1",
"Cc1nnc2n1-c1sc(CCC(=O)O)cc1C(c1ccccc1Cl)=NC2C",
"Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2C"
]
} | [
{
"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"
}
] | |
70,957 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]",
"[N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"O=[N+]([O-])c1ccc(Cc2ccncc2)cc1",
"Nc1ccc(Cc2ccncc2)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>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1.CO .",
"role": "assistant"
}
] | |
70,958 | {
"selfies": [
"[F][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][=C][C][=C][C][=N][C][Branch1][Ring1][C][Cl][=C][O][Ring1][#Branch1][C][=C][Ring1][#C]",
"[O][C][=C][C][=C][Branch2][Ring2][=N][C][C][C][C][C][=C][N][Branch2][Ring1][=C][C][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][N][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C]",
"[F][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][=Branch1][Branch2][C][=C][C][=N][C][Branch2][Branch1][O][C][O][C][=C][C][=C][Branch2][Ring2][=N][C][C][C][C][C][=C][N][Branch2][Ring1][=C][C][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][N][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C][=C][O][Ring2][Ring2][=Branch2][C][=C][Ring2][Ring2][P]"
],
"smiles": [
"FS(F)(F)(F)(F)c1ccc(C=Cc2nc(CCl)co2)cc1",
"Oc1ccc(CCCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)cc1",
"FS(F)(F)(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCc4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nn4)cc3)co2)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> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,959 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][O][C][C][=C][C][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Ring2][Ring1][Ring2][N][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][O]",
"[O][=C][Branch1][C][O][C][O][C][C][=C][C][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Ring2][Ring1][Ring2][N][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][O]"
],
"smiles": [
"CCOC(=O)COc1ccc2nc3c4ccccc4c(=O)n(-c4ccc([N+](=O)[O-])cc4)c3n2c1",
"O=C(O)COc1ccc2nc3c4ccccc4c(=O)n(-c4ccc([N+](=O)[O-])cc4)c3n2c1"
]
} | [
{
"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": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,960 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Branch1][Ring1][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][O][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][=C][Branch1][C][Br][C][Ring1][P][=C][Ring2][Ring1][Branch1]",
"[C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring1][O][C][C][=C][C][=C][O][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][=C][Branch1][C][Br][C][Ring1][P][=C][Ring2][Ring1][Branch1]"
],
"smiles": [
"CCOC(=O)c1c(C2CC2)nc(CC)n1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1",
"CCc1nc(C2CC2)c(C(=O)O)n1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)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": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO.O .",
"role": "assistant"
}
] | |
70,961 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][N]",
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"CC(=O)c1ccc2ccccc2c1",
"COC(=O)Cc1ccccc1CON",
"COC(=O)Cc1ccccc1CON=C(C)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": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be c1ccncc1 .",
"role": "assistant"
}
] | |
70,962 | {
"selfies": [
"[C][O][C][=C][C][Branch1][=C][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][S][N][C][=N][C][=C][Branch1][C][C][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][P]",
"[C][O][C][=C][C][Branch1][=C][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][N][C][=C][Ring1][=C][N][C][=N][C][=C][Branch1][C][C][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][P]"
],
"smiles": [
"COc1cc(N2CC(N(C)C)C2)c([N+](=O)[O-])cc1Nc1ncc(C)c(-c2cn(C)c3ccccc23)n1",
"COc1cc(N2CC(N(C)C)C2)c(N)cc1Nc1ncc(C)c(-c2cn(C)c3ccccc23)n1"
]
} | [
{
"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": "CCO.O .",
"role": "assistant"
}
] | |
70,963 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][Branch2][Ring1][C][O][C][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][F][=C][C][Branch1][C][C][=C][C][=Ring2][Ring1][=Branch1][Ring2][Ring1][C]",
"[C][C][C][=C][Branch2][Ring1][C][O][C][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][F][N][N][=C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=Ring2][Ring1][Branch2]"
],
"smiles": [
"CCOC(=O)c1c(C)nn2c(OCc3c(F)ccc(F)c3F)cc(C)cc12",
"Cc1cc(OCc2c(F)ccc(F)c2F)n2nc(C)c(C(=O)O)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 this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
70,964 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][C][N][C][C][O]",
"[C][C][N][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"CCNCCO",
"CCNCCO[Si](C)(C)C(C)(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": "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"
}
] | |
70,965 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Br]"
],
"smiles": [
"Cc1ccc(F)cc1C(=O)O",
"O=C1CCC(=O)N1Br",
"O=C(O)c1cc(F)ccc1CBr"
]
} | [
{
"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": "ClC(Cl)(Cl)Cl .",
"role": "assistant"
}
] | |
70,966 | {
"selfies": [
"[C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]",
"[O][=C][Branch1][C][Cl][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]",
"[C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CN1C(=O)CCc2ccccc21",
"O=C(Cl)CN1C(=O)c2ccccc2C1=O",
"CN1C(=O)CCc2cc(C(=O)CN3C(=O)c4ccccc4C3=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": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCCl .",
"role": "assistant"
}
] | |
70,967 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][NH1][C][Ring1][O][=C][Ring1][#C]",
"[N][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][NH1][C][Ring1][O][=C][Ring1][#C]"
],
"smiles": [
"O=[N+]([O-])c1ccc2nc(NC3=NCCN3)[nH]c2c1",
"Nc1ccc2nc(NC3=NCCN3)[nH]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> 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 CN(C)C=O .",
"role": "assistant"
}
] | |
70,968 | {
"selfies": [
"[C][C][=Branch1][C][=O][Cl]",
"[N][C][=C][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1]",
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1]"
],
"smiles": [
"CC(=O)Cl",
"Nc1cccc(N)n1",
"CC(=O)Nc1cccc(N)n1"
]
} | [
{
"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"
}
] | |
70,969 | {
"selfies": [
"[N][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][=C][N][Ring1][O][N][=Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch1][F]",
"[O][=C][Branch1][C][O][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N]",
"[O][=C][Branch2][Ring2][=Branch2][N][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][=C][N][Ring1][O][N][=Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch1][F][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N]"
],
"smiles": [
"Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F",
"O=C(O)c1ccn(Cc2ccccc2)c1",
"O=C(Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1F)c1ccn(Cc2ccccc2)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.CC(=O)N(C)C .",
"role": "assistant"
}
] | |
70,970 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][O][C][C][N]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]",
"[C][C][Branch1][C][C][Branch1][C][O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"CC(C)(O)CCN",
"O=[N+]([O-])c1ccccc1F",
"CC(C)(O)CCNc1ccccc1[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": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,971 | {
"selfies": [
"[C][C][C][C][C][N][=C][Branch1][C][C][N][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][P][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][=C]",
"[O][=C][Branch1][C][O-1][O]",
"[NH3+1][O]",
"[C][C][C][C][C][N][=C][Branch1][C][C][N][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][P][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C]"
],
"smiles": [
"CCCCc1nc(C)n(-c2ccc(OC)c(F)c2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1",
"O=C([O-])O",
"[NH3+]O",
"CCCCc1nc(C)n(-c2ccc(OC)c(F)c2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)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": "CCOC(C)=O.O .",
"role": "assistant"
}
] | |
70,972 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"COC(=O)c1cccc(-c2cccc(NCCNCC(O)c3cccc(Cl)c3)c2)c1",
"O=C(O)c1cccc(-c2cccc(NCCNCC(O)c3cccc(Cl)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": "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.O .",
"role": "assistant"
}
] | |
70,973 | {
"selfies": [
"[C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][O][=C][Ring1][Branch2]",
"[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#C]"
],
"smiles": [
"COc1cc(C)cc(O)c1",
"O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F",
"COc1cc(C)cc(OS(=O)(=O)C(F)(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": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be c1ccncc1 .",
"role": "assistant"
}
] | |
70,974 | {
"selfies": [
"[C][C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1]",
"[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1]"
],
"smiles": [
"CC(C)C(=O)Cl",
"NCc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2",
"CC(C)C(=O)NCc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2"
]
} | [
{
"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": "CCN(CC)CC .",
"role": "assistant"
}
] | |
70,975 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][C][Branch2][Branch1][=C][C][=C][C][=C][Branch2][Ring2][P][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1]",
"[C][C][C][Branch1][Ring1][C][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][P][C][=C][N][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring1][P]"
],
"smiles": [
"CCOC(=O)Cc1cncc(-c2ccc(C(CC)(CC)c3ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c3)cc2C)c1",
"CCC(CC)(c1ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2cncc(CC(=O)O)c2)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 reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CO.O .",
"role": "assistant"
}
] | |
70,976 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[F][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][F]",
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][=C][Ring1][#C]"
],
"smiles": [
"COC(=O)C(C)Oc1ccc(O)cc1",
"Fc1cc(Cl)cnc1F",
"COC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)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": "CC#N .",
"role": "assistant"
}
] | |
70,977 | {
"selfies": [
"[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][N][Ring1][N][C][C][O]",
"[O][=S][Branch1][C][Cl][Cl]",
"[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][N][Ring1][N][C][C][Cl]"
],
"smiles": [
"Cc1ccc2c(c1)c(=O)c1c(cnn1C)n2CCO",
"O=S(Cl)Cl",
"Cc1ccc2c(c1)c(=O)c1c(cnn1C)n2CCCl"
]
} | [
{
"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.CN(C)C=O .",
"role": "assistant"
}
] | |
70,978 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2]",
"[O][C][C][C][C][N][C][C][Ring1][#Branch1]",
"[C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][N][C][C][Ring1][#Branch1][=C][Branch1][C][C][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][O]"
],
"smiles": [
"COc1ccc(Cn2ccc3cc(F)c(C)cc3c2=O)cc1",
"OC1CCCNCC1",
"COc1ccc(Cn2ccc3cc(OC4CCCNCC4)c(C)cc3c2=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": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC(=O)N(C)C .",
"role": "assistant"
}
] | |
70,979 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][=C][Ring1][#C][Cl]",
"[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][=C][Branch1][C][Cl][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][Cl][=N][Ring1][S]"
],
"smiles": [
"COC(=O)c1ccc(Cl)c(-c2nc(C(C)C)no2)c1Cl",
"CC(C)c1noc(-c2c(Cl)ccc(C(=O)O)c2Cl)n1"
]
} | [
{
"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"
}
] | |
70,980 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][=C]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][=C]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CC=C(c2ccc(C#N)cc2)CC1",
"CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)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": "<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 .",
"role": "assistant"
}
] | |
70,981 | {
"selfies": [
"[C][#C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2]",
"[C][#C][C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"C#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)C2C(=O)OC(C)(C)C)cc1",
"C#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)C2C(=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": "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"
}
] | |
70,982 | {
"selfies": [
"[C][C][C][C][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]",
"[C][C][C][C][C][C][C][N][Branch1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C]"
],
"smiles": [
"CCCCCCCNCCc1ccccc1OC",
"COC(=O)c1ccccc1COc1ccc(CC(=O)O)cc1",
"CCCCCCCN(CCc1ccccc1OC)C(=O)Cc1ccc(OCc2ccccc2C(=O)OC)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.CN(C)C=O .",
"role": "assistant"
}
] | |
70,983 | {
"selfies": [
"[N][#C][C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][S][C][=Ring2][Ring1][Ring1][N]",
"[N][#C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][S][C][=Ring1][N][N]"
],
"smiles": [
"N#Cc1c(-c2ccc(OCc3ccccc3)cc2)csc1N",
"N#Cc1c(-c2ccc(O)cc2)csc1N"
]
} | [
{
"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"
}
] | |
70,984 | {
"selfies": [
"[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][C][Cl]",
"[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring2]",
"[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][C][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"Cc1nc2ccccn2c(=O)c1CCCl",
"c1ccc(CN2c3ccccc3C3CNCCC32)cc1",
"Cc1nc2ccccn2c(=O)c1CCN1CCC2C(C1)c1ccccc1N2Cc1ccccc1"
]
} | [
{
"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)CC(C)C .",
"role": "assistant"
}
] | |
70,985 | {
"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]",
"[O][C][C][C][N][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"OC1CCNC1",
"CC(C)(C)OC(=O)N1CCC(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 provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,986 | {
"selfies": [
"[C][C][I]",
"[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][O]",
"[C][C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][O][C]"
],
"smiles": [
"CCI",
"COc1ccc(C=O)cc1O",
"CCOc1cc(C=O)ccc1OC"
]
} | [
{
"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": "O .",
"role": "assistant"
}
] | |
70,987 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][C][Ring1][=Branch2]",
"[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]",
"[C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][S]"
],
"smiles": [
"CC(=O)N1CCC(C(=O)Cl)CC1",
"Fc1cccc(F)c1",
"CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)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"
}
] |