problem
stringlengths 128
864
| answer
stringlengths 1
43
|
|---|---|
Using Cc1cc([N+](=O)[O-])c(C)cc1Cl, CC(C)(C)c1cccc(O)c1 to produce Cc1cc([N+](=O)[O-])c(C)cc1Oc1cccc(C(C)(C)C)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CN(C)C=O |
Using Cc1cc([N+](=O)[O-])c(C)cc1Cl, CC(C)(C)c1cccc(O)c1 to produce Cc1cc([N+](=O)[O-])c(C)cc1Oc1cccc(C(C)(C)C)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CN(C)C=O |
Using C=O, CC(C)(C)c1ccccc1O to produce CC(C)(C)c1cccc(C=O)c1O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CC#N, CCN(CC)CC |
Using C=O, CC(C)(C)c1ccccc1O to produce CC(C)(C)c1cccc(C=O)c1O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CC#N, CCN(CC)CC |
Using O=C(O)Cc1cccc(I)c1 to produce OCCc1cccc(I)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | C1CCOC1 |
Using O=C(O)Cc1cccc(I)c1 to produce OCCc1cccc(I)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | C1CCOC1 |
Using CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 to produce Nc1ccc(N2CCN(C3CCCC3)CC2)cc1N, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | ClC(Cl)Cl |
Using CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 to produce Nc1ccc(N2CCN(C3CCCC3)CC2)cc1N, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | ClC(Cl)Cl |
Using O=C(NC1CCN(Cc2ccccc2)CC1)C(F)(F)F to produce O=C(NC1CCNCC1)C(F)(F)F, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CO |
Using O=C(NC1CCN(Cc2ccccc2)CC1)C(F)(F)F to produce O=C(NC1CCNCC1)C(F)(F)F, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CO |
Using O=C1O[C@H]([C@@H](O)CO)C(O)=C1O to produce O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O |
Using O=C1O[C@H]([C@@H](O)CO)C(O)=C1O to produce O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O |
Using O=Cc1ccc(Cl)cc1, NO to produce ON=Cc1ccc(Cl)cc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | ClC(Cl)Cl |
Using O=Cc1ccc(Cl)cc1, NO to produce ON=Cc1ccc(Cl)cc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | ClC(Cl)Cl |
Using COC(=O)c1ccc(OC(C)C)c(C#N)c1 to produce CC(C)Oc1ccc(C(=O)O)cc1C#N, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | C1CCOC1 |
Using COC(=O)c1ccc(OC(C)C)c(C#N)c1 to produce CC(C)Oc1ccc(C(=O)O)cc1C#N, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | C1CCOC1 |
Using O=CCCl, Nc1cc(Cl)ccn1 to produce Clc1ccn2ccnc2c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O, CCO |
Using O=CCCl, Nc1cc(Cl)ccn1 to produce Clc1ccn2ccnc2c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O, CCO |
Using CON(C)C(C)=O, Clc1nccs1 to produce CC(=O)c1cnc(Cl)s1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | C1CCOC1 |
Using CON(C)C(C)=O, Clc1nccs1 to produce CC(=O)c1cnc(Cl)s1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | C1CCOC1 |
Using Cc1ccc(C#N)cc1Cl, O=C1CCC(=O)N1Br to produce N#Cc1ccc(CBr)c(Cl)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O, ClC(Cl)(Cl)Cl |
Using Cc1ccc(C#N)cc1Cl, O=C1CCC(=O)N1Br to produce N#Cc1ccc(CBr)c(Cl)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O, ClC(Cl)(Cl)Cl |
Using Oc1cc(Cl)nnc1Cl, Cc1cccc(C2CC2)c1O to produce Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O=S1(=O)CCCC1, CO |
Using Oc1cc(Cl)nnc1Cl, Cc1cccc(C2CC2)c1O to produce Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O=S1(=O)CCCC1, CO |
Using Cc1ccc(C#N)cc1Cl, O=C1CCC(=O)N1Br to produce N#Cc1ccc(CBr)c(Cl)c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | ClC(Cl)(Cl)Cl |
Using Cc1ccc(C#N)cc1Cl, O=C1CCC(=O)N1Br to produce N#Cc1ccc(CBr)c(Cl)c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | ClC(Cl)(Cl)Cl |
Using Oc1cc(Cl)nnc1Cl, Cc1cccc(C2CC2)c1O to produce Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | Clc1ccccc1Cl, CC(C)(C)O |
Using Oc1cc(Cl)nnc1Cl, Cc1cccc(C2CC2)c1O to produce Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | Clc1ccccc1Cl, CC(C)(C)O |
Using O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(Cc3ccccc3)CC12 to produce O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CO |
Using O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(Cc3ccccc3)CC12 to produce O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CO |
Using O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(Cc3ccccc3)CC12 to produce O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CO |
Using O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(Cc3ccccc3)CC12 to produce O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CO |
Using BrBr, Nc1cccnc1F to produce Nc1ccc(Br)nc1F, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CC(=O)O |
Using BrBr, Nc1cccnc1F to produce Nc1ccc(Br)nc1F, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CC(=O)O |
Using O=CC(Cl)(Cl)Cl, C=C(C)C to produce C=C(C)CC(O)C(Cl)(Cl)Cl, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O |
Using O=CC(Cl)(Cl)Cl, C=C(C)C to produce C=C(C)CC(O)C(Cl)(Cl)Cl, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | O |
Using O=[N+]([O-])c1cccc2cnccc12, NO to produce Nc1ccc([N+](=O)[O-])c2ccncc12, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CCO |
Using O=[N+]([O-])c1cccc2cnccc12, NO to produce Nc1ccc([N+](=O)[O-])c2ccncc12, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CCO |
Using CN1CCCCC(C2=C(Cl)C(=O)CCC2)C1=O to produce CN1CCCCC(c2cccc(O)c2)C1=O, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CC(=O)O, O |
Using CN1CCCCC(C2=C(Cl)C(=O)CCC2)C1=O to produce CN1CCCCC(c2cccc(O)c2)C1=O, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CC(=O)O, O |
Using O=C1CCCCC1, Nc1c2ccccc2nn1-c1ccccc1 to produce c1ccc(-n2nc3ccccc3c2NC2CCCCC2)cc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CC(=O)O, ClCCl |
Using O=C1CCCCC1, Nc1c2ccccc2nn1-c1ccccc1 to produce c1ccc(-n2nc3ccccc3c2NC2CCCCC2)cc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CC(=O)O, ClCCl |
Using O=C(c1ccccc1)n1ccc2ccc(Br)nc21 to produce Brc1ccc2cc[nH]c2n1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CO |
Using O=C(c1ccccc1)n1ccc2ccc(Br)nc21 to produce Brc1ccc2cc[nH]c2n1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CO |
Using c1ccc2c(c1)sc1ccccc12, CC(=O)Cl to produce CC(=O)c1ccc2sc3ccccc3c2c1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | S=C=S |
Using c1ccc2c(c1)sc1ccccc12, CC(=O)Cl to produce CC(=O)c1ccc2sc3ccccc3c2c1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | S=C=S |
Using Cn1c(=O)[nH]c(=O)c2[nH]cnc21, BrCc1ccccc1 to produce Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CCOC(C)=O, CN(C)C=O |
Using Cn1c(=O)[nH]c(=O)c2[nH]cnc21, BrCc1ccccc1 to produce Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CCOC(C)=O, CN(C)C=O |
Using C#CCCC(=O)OC, COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(Br)c21 to produce COC(=O)CCC#Cc1c([N+](=O)[O-])ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CN(C)C=O, CCN(CC)CC |
Using C#CCCC(=O)OC, COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(Br)c21 to produce COC(=O)CCC#Cc1c([N+](=O)[O-])ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CN(C)C=O, CCN(CC)CC |
Using O=C(O)CCc1c[nH]cn1, Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CNC1 to produce Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)CCc2c[nH]cn2)C1, please predict the solvent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CN(C)C=O, CCN(C(C)C)C(C)C |
Using O=C(O)CCc1c[nH]cn1, Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CNC1 to produce Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)CCc2c[nH]cn2)C1, please predict the agent for this reaction in SMILES notation in \boxed{$SMILES1, SMILES2, ...} format. | CN(C)C=O, CCN(C(C)C)C(C)C |
Subsets and Splits