problem
stringlengths 236
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| answer
stringlengths 34
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|---|---|
Using CC(C)(C)OC(=O)N1CCC(COC(COS(C)(=O)=O)c2cc(Cl)cc3cn(COCC[Si](C)(C)C)nc23)(c2ccc(F)cc2)CC1, [C-]#N to produce CC(C)(C)OC(=O)N1CCC(COC(CC#N)c2cc(Cl)cc3cn(COCC[Si](C)(C)C)nc23)(c2ccc(F)cc2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["[Na+]"]} |
Using O=C1c2ccccc2C(=O)N1Cc1ccc(Cl)nc1 to produce NCc1ccc(Cl)nc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["NN", "Cl"]} |
Using C[O-], Brc1cncc(Br)c1 to produce COc1cncc(Br)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]"]} |
Using Oc1ccc(-c2nccs2)cc1, CCBr to produce CCOc1ccc(-c2nccs2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using N#CCCl, O=C(c1ccccc1)c1ccc(O)c(Cl)c1Cl to produce N#CCOc1ccc(C(=O)c2ccccc2)c(Cl)c1Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using O=C1CCCC(=O)O1 to produce O=C(O)CCCC(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["c1ccccc1", "CCN(CC)CC"], "agent": ["NO"]} |
Using CC1(C)CC(=O)c2cc(O)c(O)cc2O1, BrCCBr to produce CC1(C)CC(=O)c2cc3c(cc2O1)OCCO3, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]", "[I-]"]} |
Using CCOC(=O)CBr, CC(C)(C)OC(=O)N1C(=O)CCc2ccc(OCc3cccc(Cl)c3)cc21 to produce CCOC(=O)CC1Cc2ccc(OCc3cccc(Cl)c3)cc2N(C(=O)OC(C)(C)C)C1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["C[Si](C)(C)[N-][Si](C)(C)C", "[Li+]"]} |
Using C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)OCC[C@@H]12 to produce C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OCC[C@@H]12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CC(C)=O"], "agent": ["O=S(=O)(O)O", "O=[Cr](=O)=O"]} |
Using COC(=O)[C@H](C)Nc1c(C)cccc1C to produce Cc1cccc(C)c1N[C@@H](C)C(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3Br)n(-c3ccccc3)c(=O)c12, OB(O)c1ccc2cc[nH]c2c1 to produce Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3-c3ccc4cc[nH]c4c3)n(-c3ccccc3)c(=O)c12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "CCOC(C)=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using COc1cc(CCc2cc(N)[nH]n2)cc(OC)c1, COC(=O)c1cnc(N2CCN3CCCC3C2)nc1 to produce COc1cc(CCc2cc(NC(=O)c3cnc(N4CCN5CCCC5C4)nc3)[nH]n2)cc(OC)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["C[Al](C)C"]} |
Using Cc1cnc(Nc2ccc(OCC(O)CN(C)C)cc2)nc1-n1ccc2ccccc21, CN(C)CC(O)COc1ccc(Nc2nccc(N3CCc4ccccc43)n2)cc1 to produce CN(C)CC(O)COc1ccc(Nc2cc(N3CCc4ccccc43)ncn2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN1CCCC1=O"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using CCOC(=O)c1c(-c2cccc(F)c2)noc1C(C)C to produce CC(C)c1onc(-c2cccc(F)c2)c1C(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Li]O"]} |
Using CN(C)C=O, CC(=O)NCc1ccc2[nH]ccc2c1 to produce CC(=O)NCc1ccc2[nH]cc(C=O)c2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "O=P(Cl)(Cl)Cl"], "agent": ["[Na+]", "[OH-]"]} |
Using CN1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1, NNCC(F)(F)F to produce CN1CC(=Cc2ccccc2)C2=NN(CC(F)(F)F)C(c3ccccc3)C2C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["Cl"]} |
Using COC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)c(F)c3)cc2)C1 to produce O=C1CC(CO)CN1c1ccc(OCc2ccc(F)c(F)c2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]", "[BH4-]"]} |
Using CNC1CCOc2cc(CN3CCCCC3)ccc21, O=C(O)CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 to produce CN(C(=O)CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)C1CCOc2cc(CN3CCCCC3)ccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "ClCCl"], "agent": ["O=C(Cl)C(=O)Cl"]} |
Using COC(=O)C(C)=NNC(=S)NCc1cc(F)ccc1Cl to produce Cc1n[nH]c(=S)n(Cc2cc(F)ccc2Cl)c1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["CO[Na]", "[Na]"]} |
Using C[C@@H](NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(O)cc1 to produce C[C@@H](NC(=O)[C@@H](N)CCCNC(=O)OCc1ccccc1)c1ccc(O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["Cl"]} |
Using CCOC(=O)C=Cc1ccc(O)cn1 to produce CCOC(=O)CCc1ccc(O)cn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[Pd]"]} |
Using CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3ccc([N+](=O)[O-])c(S(C)(=O)=O)c3)S(C)(=O)=O)c(C3CC3)cc12 to produce CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(c3ccc(N)c(S(C)(=O)=O)c3)S(C)(=O)=O)c(C3CC3)cc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CCO"], "agent": ["Cl[Sn]Cl"]} |
Using CN(CCCO)C(=O)OC(C)(C)C to produce CN(CCC=O)C(=O)OC(C)(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21", "[Na+]", "O=C([O-])O"]} |
Using CSCCN(C)C(C)SC, Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3ccccc3F)cc1F)[C@H](O)C2 to produce CSCCN(C)C(C)=Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3ccccc3F)cc1F)[C@H](O)C2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["c1ccncc1"], "agent": ["I"]} |
Using CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2F)cc2cnc(N(C)Cc3ccc(OC)cc3)cc21 to produce CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2F)cc2cnc(NC)cc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O=C(O)C(F)(F)F"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using II, CCCn1c(N)nc2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O to produce CCCn1c(I)nc2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC(C)CCON=O", "[Na+]", "O=S([O-])([O-])=S"]} |
Using O=Cc1ccc(OC(F)(F)F)cc1, COc1ccc(/C=C/C(C)=O)cc1 to produce COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using OC1CCOC1, C[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccc(NCC(F)(F)F)cn1 to produce C[C@@H](NC(=O)Cc1ccc(OC2CCOC2)cc1)c1ccc(NCC(F)(F)F)cn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C"]} |
Using CC1(C)CC(O)CC(C)(C)N1O, CCCCCCCCI to produce CCCCCCCCON1C(C)(C)CC(O)CC1(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Clc1ccccc1"], "agent": ["CCCC[SnH](CCCC)CCCC"]} |
Using CCOC(=O)c1cnc(N2CC(NC(=O)OC(C)(C)C)C2)nc1 to produce CCOC(=O)c1cnc(N2CC(N)C2)nc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["Cl"]} |
Using CCOC(=O)COc1ccc(OC)c2occc12 to produce CCOC(=O)COc1ccc(O)c2occc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "ClCCl"], "agent": ["BrB(Br)Br"]} |
Using CCOC(=O)CC(C)N1CCC(Cc2ccccc2)CC1 to produce CC(CCO)N1CCC(Cc2ccccc2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using CC(C)(Br)C(=O)Br, c1ccc2c(c1)CCCC2 to produce CC1Cc2cc3c(cc2C1=O)CCCC3, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Al+3]", "[Cl-]"]} |
Using Cc1c(F)ccc(C(=O)O)c1F, O=Cc1nccs1 to produce Cc1c(F)c(C(=O)O)cc(C(O)c2nccs2)c1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC1(C)CCCC(C)(C)N1", "[Li]CCCC"]} |
Using COC(=O)c1ccc(C(C)(C)C)c(C#N)c1 to produce CC(C)(C)c1ccc(C(=O)O)cc1C#N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["[Li+]", "[OH-]"]} |
Using Brc1cc(Br)cc(OCC2CC2)c1, CCOC(=O)COc1ccc(S)cc1C to produce CCOC(=O)COc1ccc(Sc2cc(Br)cc(OCC3CC3)c2)cc1C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN1CCCC1=O", "CCN(CC)CC"], "agent": ["O=C(/C=C/c1ccccc1)/C=C/c1ccccc1", "O=C(O)CC(O)(CC(=O)O)C(=O)O", "[Pd]"]} |
Using CCOC(=O)c1ccc(N)cc1, COc1cn(C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O)c(=O)cc1-c1cc(Cl)ccc1C#N to produce CCOC(=O)c1ccc(NC(=O)C(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["CC(C)N=C=NC(C)C"]} |
Using O=C1Cc2ncc(C(F)(F)F)cc2CN1 to produce FC(F)(F)c1cnc2c(c1)CNCC2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["B"]} |
Using Cc1cnc(N)n1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1, C[C@H]1COCCN1c1nc(Cl)nc2c1CCN(C(=O)OC(C)(C)C)C2 to produce Cc1cnc(N)n1-c1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C(=O)OC(C)(C)C)C3)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "O"], "agent": ["[K+]", "CC(=O)[O-]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using NCCCn1ccnc1, O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)O)ccn1 to produce O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)NCCCn2ccnc2)ccn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CO"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)c1ccncc1", "c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1"]} |
Using CCOC(=O)[C@H]1CC(=O)O[C@@H]1C(=O)N(Cc1ccc2ccccc2c1)[C@H](C)[C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2, [OH-] to produce CCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)N(Cc1ccc2ccccc2c1)[C@H](C)[C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]"]} |
Using CCO, O=C([O-])c1ccccc1 to produce CCCCC#CC#CCOc1ccc(C(=O)O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using NCC(=O)O, CCOC(=O)c1ncc2nc(-c3cncc(Br)c3)sc2c1O to produce O=C(O)CNC(=O)c1ncc2nc(-c3cncc(Br)c3)sc2c1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["C[O-]", "[Na+]"]} |
Using COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccccc1)CC3 to produce COc1ccc2c3c(c(=O)oc2c1)CNCC3, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Pd]"]} |
Using Nc1ncccc1C=O, COC(=O)CCCCCCC(C)=O to produce COC(=O)CCCCCCc1ccc2cccnc2n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["O=C(O)[C@@H]1CCCN1"]} |
Using CC(O)Cc1cc2cccc3c2c(c1Br)NS3(=O)=O, OC(CBr)CBr to produce OC(CBr)CN1Sc2cccc3cccc1c23, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using O=C(O)COc1cccc(F)c1, NCC(O)CN1CCc2ccccc2C1 to produce O=C(COc1cccc(F)c1)NCC(O)CN1CCc2ccccc2C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["O=C1OCCN1P(=O)(Cl)N1CCOC1=O"]} |
Using COc1cccc2c1c1c(n2CCOCc2ccccc2)CCCC1C(=O)O to produce COc1cccc2c1c1c(n2CCO)CCCC1C(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCNCC", "CO"], "agent": ["[H][H]", "[Pd]"]} |
Using c1c[nH]cn1, Cn1c(=O)c2c(-c3cccc(F)c3)n3c(c2n(C)c1=O)C(c1ccc(Cl)o1)O[C@@H](COS(C)(=O)=O)C3 to produce Cn1c(=O)c2c(-c3cccc(F)c3)n3c(c2n(C)c1=O)[C@H](c1ccc(Cl)o1)O[C@@H](Cn1ccnc1)C3, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using CCOC(=O)C=CC(Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 to produce CCOC(=O)CCC(Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Clc1ccccc1Cl", "C1CCOC1"], "agent": ["[Pd]"]} |
Using Cc1cc(Nc2nc(Nc3cc(C)c(C4CCC(=O)CC4)cc3F)ncc2C(F)(F)F)n[nH]1, C1CCNCC1 to produce Cc1cc(Nc2nc(Nc3cc(C)c([C@H]4CC[C@H](N5CCCCC5)CC4)cc3F)ncc2C(F)(F)F)n[nH]1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]"]} |
Using O=C(O)COc1ccc(C(F)(F)F)cc1B(O)O, Cc1cnc(N)c(Br)c1 to produce Cc1cnc(N)c(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using CI, Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H]2OCC(=O)N[C@@H]2C3)cc1 to produce CN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["[Na+]", "[H-]"]} |
Using O=C([O-])[O-], CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc(Cc4c(Cl)cccc4Cl)c4ncn(COCC[Si](C)(C)C)c4c3C#N)c(Cl)c2)CC1 to produce NC(=O)c1c(Nc2ccc(N3CCNCC3)cc2Cl)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["O=S(=O)(O)O", "[Na+]"]} |
Using CNC(=O)C(=O)c1ccc(OC)cc1 to produce CNC(=O)C(=O)c1ccc(O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["BrB(Br)Br"]} |
Using [Br-], CC(C)(C)Cn1nnc2cc(N)ccc21 to produce CC(C)(C)Cn1nnc2c(Br)c(N)ccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["c1cc[nH+]cc1"]} |
Using [OH-], COc1ccc(-c2nc3ccccn3c2CC(N)=O)c2ccc(=O)[nH]c12 to produce COc1ccc(-c2nc3ccccn3c2CC(=O)O)c2ccc(=O)[nH]c12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CCO"], "agent": ["[K+]", "Cl"]} |
Using COC=C(C)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C to produce CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)C=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["Cl"]} |
Using BrC(Br)(Br)Br, OCc1cccc(OCc2nc3cc(F)ccc3s2)c1 to produce Fc1ccc2sc(COc3cccc(CBr)c3)nc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1"]} |
Using CC(C)(C)OC(=O)N1CC2COCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21 to produce O=C(OCC1c2ccccc2-c2ccccc21)N1C2CNCC1COC2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "CCOCC"], "agent": ["Cl"]} |
Using COC(CNC(=O)C(CS)CC(C)C)OC to produce CC(C)CC(CS)C(=O)NCC=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["Cl"]} |
Using O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1, COc1ccc2nc(CO)n(C)c2n1 to produce COc1ccc2nc(COc3ccc(CC4SC(=O)N(C(c5ccccc5)(c5ccccc5)c5ccccc5)C4=O)cc3)n(C)c2n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["CCCCP(CCCC)CCCC", "O=C(N=NC(=O)N1CCCCC1)N1CCCCC1"]} |
Using CCCC(CCCCCCO)c1ccc(CC(C)C)cc1, BrC(Br)(Br)Br to produce CCCC(CCCCCCBr)c1ccc(CC(C)C)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1"]} |
Using O=C1OC2(CC(c3cccc(C(F)(F)F)c3)=NO2)c2ccccc21 to produce O=C(O)c1ccccc1-c1cc(-c2cccc(C(F)(F)F)c2)no1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["Cl"]} |
Using N#CC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cc([N+](=O)[O-])cc1Cl to produce N#CC(c1ccc(Cl)c(Cl)c1)c1c(Cl)cc(N)cc1Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[H][H]", "[Ni]"]} |
Using CC1(C)CC(=O)C(Br)C(=O)C1, NC(N)=S to produce CC1(C)CC(=O)c2sc(N)nc2C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using C=C(C)Cc1cc(CC(=C)C)cc(-c2nc3ncccc3o2)c1 to produce CC(C)Cc1cc(CC(C)C)cc(-c2nc3ncccc3o2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[H][H]", "[Pd]"]} |
Using COc1ccc2[nH]cc(SC3CCN(C)CC3)c2c1 to produce CN1CCC(Sc2c[nH]c3ccc(O)cc23)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["BrB(Br)Br", "N"]} |
Using CCOC(=O)c1cc2c(ncn2-c2cccc(-c3ccsc3)c2)[nH]1 to produce OCc1cc2c(ncn2-c2cccc(-c3ccsc3)c2)[nH]1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using CN1CC23c4ccccc4C(c4ccccc4C2(Br)C1=O)C3Br to produce CN1CC23CC(c4ccccc4C2C1=O)c1ccccc13, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["c1ccccc1"], "agent": ["CCCC[SnH](CCCC)CCCC"]} |
Using CCOC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1, CC(=O)OC(C)=O to produce CCOC(=O)[C@@H](CCCNC(C)=O)NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using C[C@@H](OC[C@H]1CO1)c1ccccc1Br, C=CC(=O)OC to produce COC(=O)C=Cc1ccccc1[C@@H](C)OC[C@H]1CO1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "CCN(CC)CC"], "agent": ["Cc1ccccc1P(c1ccccc1C)c1ccccc1C", "CC(=O)[O-]", "[Pd+2]"]} |
Using O=C(OCc1ccccc1)N1CCc2ccccc2C1c1cc(Cl)ccc1O, N#CCCl to produce N#CCOc1ccc(Cl)cc1C1c2ccccc2CCN1C(=O)OCc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using C=C(OCC)[Sn](CCCC)(CCCC)CCCC, CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1Br to produce CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1C(C)=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["Cl", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using CCCCBr, Cc1cc(O)cc(C)c1[N+](=O)[O-] to produce CCCCOc1cc(C)c([N+](=O)[O-])c(C)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using O=Cc1ccc(Cc2ccccc2F)s1 to produce OCc1ccc(Cc2ccccc2F)s1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "[BH4-]"]} |
Using CNc1ccc(C(=O)c2ccc(Cl)cc2)cn1, BrBr to produce CNc1ncc(C(=O)c2ccc(Cl)cc2)cc1Br, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using COc1ccc(C(=O)Cl)cc1, CCOC(=O)CCc1ccc(OC)cc1OC to produce CCOC(=O)CCc1cc(C(=O)c2ccc(OC)cc2)c(OC)cc1OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCCl"], "agent": ["[Al+3]", "[Cl-]"]} |
Using CN1CCCC(CC(C#N)c2ccc(Cl)cc2Cl)C1, ClCn1cncn1 to produce CN1CCCC(CC(C#N)(Cn2cncn2)c2ccc(Cl)cc2Cl)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["[Na+]", "[OH-]"]} |
Using CNC(=O)c1cc(F)ccc1[N+](=O)[O-] to produce CNC(=O)c1cc(F)ccc1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[H][H]", "[Pd]"]} |
Using Cc1cc(C(=O)Cl)ccc1Br, COc1ccccc1 to produce COc1ccc(C(=O)c2ccc(Br)c(C)c2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["[Al+3]", "[Cl-]"]} |
Using CCOC(CC)(OCC)OCC, Nc1cc([N+](=O)[O-])ccc1O to produce CCc1nc2cc([N+](=O)[O-])ccc2o1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using CC(=O)OCc1ccc2sc(S(N)(=O)=O)cc2c1 to produce NS(=O)(=O)c1cc2cc(CO)ccc2s1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[K+]", "[OH-]"]} |
Using C=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1, Nc1ccc(B(O)O)cn1 to produce C=CC[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3ccc(N)nc3)cc2)C(=O)O1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["O=C([O-])[O-]", "[Cs+]", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using COC(=O)C(O)=CC(=O)c1ccc(Cl)c(Cl)c1 to produce O=C(O)C(O)=CC(=O)c1ccc(Cl)c(Cl)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[OH-]"]} |
Using Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)sc2ccccc12, CO to produce COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)c2sc3ccccc3c2C)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1, O=C(O)c1cccc(Cl)c1 to produce COc1ccc2nc([S@@](=O)Cc3nc(C)cc(OC)c3C)[nH]c2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Na+]", "[OH-]"]} |
Using COc1ccc(CN2Cc3nc(S(C)(=O)=O)nc(Nc4cccc(C)c4)c3C2=O)c(OC)c1, CC(C)(C)OC(=O)NCCN to produce COc1ccc(CN2Cc3nc(NCCNC(=O)OC(C)(C)C)nc(Nc4cccc(C)c4)c3C2=O)c(OC)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)N(C)C", "CCN(CC)CC"], "agent": ["Cl"]} |
Using OCc1ccccc1, CC(C)(C)OC(=O)NCC(=O)O to produce CC(C)(C)OC(=O)NCC(=O)OCc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "ClCCCl"], "agent": ["CN(C)c1ccncc1", "Cl"]} |
Using Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)[nH]c3c2)c1, CC(C)(C#N)c1cccc(C(=O)O)c1 to produce CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)[nH]c4c3)c2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["c1ccncc1"], "agent": ["CCN=C=NCCCN(C)C", "CN(C)c1ccncc1", "Cl"]} |
Using NCCOCCO, CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(C=O)ccc21 to produce CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CNCCOCCO)ccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]"]} |
Using COc1ccc(C(=O)CCCl)cc1 to produce C=CC(=O)c1ccc(O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Al+3]", "[Cl-]"]} |
Using C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1, O=C(Cl)c1ccccn1 to produce C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccccn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CC#N"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using O=[N+]([O-])c1ccccc1Cl, [S-][S-] to produce O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-], please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["[Na+]"]} |
Using COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cn2c(C)c(-c3noc4cc(OC)ccc34)c3ccc(OC(F)(F)F)cc32)c1 to produce COc1ccc2c(-c3c(C)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(OC(F)(F)F)ccc34)noc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(C)(C)OC(=O)CNCCC(=O)OCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1 to produce Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3cc(F)c(F)cc3COC(=O)[C@H](N)CO)ccc2n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "ClCCl"], "agent": ["Cl"]} |
Using COc1ccccc1[C@]1(O)CCC(c2ccccc2)(c2ccccc2)[C@H]2CN(C(=O)[C@@H](OC(C)=O)c3ccccc3)C[C@H]21 to produce COc1ccccc1[C@]1(O)CCC(c2ccccc2)(c2ccccc2)[C@H]2CN(C(=O)[C@@H](O)c3ccccc3)C[C@H]21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using O=C(NC1CCNCC1)c1ccc(-c2cccc(F)c2)nc1, O=C(c1ccc(Cl)nc1)N1CCOCC1 to produce O=C(NC1CCN(c2ccc(C(=O)N3CCOCC3)cn2)CC1)c1ccc(-c2cccc(F)c2)nc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CN1CCCC1=O"], "agent": ["[F-]", "Cl", "[Cs+]"]} |
Using CCOC(=O)CCCCCCN(Cc1ccc(/C=C/c2ccccc2)cc1)S(C)(=O)=O to produce CCOC(=O)CCCCCCN(Cc1ccc(CCc2ccccc2)cc1)S(C)(=O)=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CO"], "agent": ["[C]", "[Pd]"]} |
Using Cc1ccc(F)cc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2[N+](=O)[O-])CC1 to produce Cc1ccc(F)cc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCCC3=O)cc2N)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "CC(=O)O"], "agent": ["[Fe]"]} |
Subsets and Splits