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Using CN(C)C=O, Brc1ccc2c(c1)OCCn1cc(I)nc1-2 to produce O=Cc1cn2c(n1)-c1ccc(Br)cc1OCC2, 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": ["CCOCC", "C1CCOC1"], "agent": ["CC[Mg]Br"]} |
Using CC(=O)OC(C)=O, Brc1ccc2[nH]c3ccccc3c2c1 to produce CC(=O)n1c2ccccc2c2cc(Br)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": ["O=S(=O)(O)O"]} |
Using COC(=O)C(=CO)Cc1cnc(OC)nc1, N=C(N)CCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 to produce COc1ncc(Cc2c[nH]c(CCc3ccc(Oc4cccc(C(F)(F)F)c4)cc3)nc2=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": ["Cc1ccccc1"], "agent": ["[K+]", "CC(=O)[O-]"]} |
Using CCOC(=O)c1ccc(OCCn2ccnc2)c(Cl)c1 to produce O=C(O)c1ccc(OCCn2ccnc2)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": ["O", "CC(=O)O"], "agent": ["[K+]", "[OH-]"]} |
Using COc1ccc2c(c1)[C@]13CCN[C@H](C2)[C@]1(OC)[C@H](C)CC(=O)C3, BrCC1CC1 to produce COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)[C@H](C)CC(=O)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": ["CCO"], "agent": ["O=C([O-])[O-]", "[Na+]", "Cl"]} |
Using COc1ccc(N2CCCn3c2nc2c(Cl)ccc(CO)c23)c(Cl)c1 to produce COc1ccc(N2CCCn3c2nc2c(Cl)ccc(C=O)c23)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": ["CS(C)=O"], "agent": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]} |
Using C#CC(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1, Ic1ccc(CN2CCCCC2)cc1 to produce O=C(C#Cc1ccc(CN2CCCCC2)cc1)Nc1ccc(-c2ccc(Cl)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": ["ClCCl", "CO"], "agent": ["N"]} |
Using OC1CCC2(c3c[nH]cn3)Cc3ccccc3C12 to produce c1ccc2c(c1)CC1(c3c[nH]cn3)CCCC21, 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": ["[H][H]", "Cl", "[Pd]"]} |
Using CC1Cc2c(c(Br)cc(F)c2-n2c(=O)cc(C(F)(F)F)n(C)c2=O)O1, C#C[Si](C)(C)C to produce CC1Cc2c(c(C#C[Si](C)(C)C)cc(F)c2-n2c(=O)cc(C(F)(F)F)n(C)c2=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": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["[Cu]I"]} |
Using Clc1cc2c(cn1)-c1nc(I)cn1CCO2, [Zn+]c1ccccn1 to produce Clc1cc2c(cn1)-c1nc(-c3ccccn3)cn1CCO2, 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": ["[Br-]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using CCOC(=O)CBr, Clc1nc2ccccc2[nH]1 to produce CCOC(=O)Cn1c(Cl)nc2ccccc21, 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 CC(=O)Oc1ccc(CCCCc2ccccc2)cc1 to produce Oc1ccc(CCCCc2ccccc2)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", "CO"], "agent": ["O=C([O-])[O-]", "[Na+]", "Cl"]} |
Using Cn1cc(-c2cc3c(ccn3CCO)cc2F)c2c(Br)ccnc21 to produce Cn1cc(-c2cc3c(cc2F)CCN3CCO)c2c(Br)ccnc21, 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": ["[BH3-]C#N", "[Na+]"]} |
Using COc1ccc(CN2Cc3cc(-c4cc(C(=O)N(C)C5CC5)ccc4C)ccc3N(C)C2=O)cc1 to produce Cc1ccc(C(=O)N(C)C2CC2)cc1-c1ccc2c(cnc(=O)n2C)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=C(O)C(F)(F)F"], "agent": ["N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O"]} |
Using CCOC(=O)CCCBr, CCOC(=O)c1ccc([Se]c2cc3c(cc2O)C(C)(C)CCC3(C)C)nc1 to produce CCOC(=O)CCCOc1cc2c(cc1[Se]c1ccc(C(=O)OCC)cn1)C(C)(C)CCC2(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": ["O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using Nc1ncc(Cl)cc1Br, C=CC(=O)OC(C)(C)C to produce CC(C)(C)OC(=O)/C=C/c1cc(Cl)cnc1N, 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": ["CCN(CC)CC"], "agent": ["Cc1ccccc1P(c1ccccc1C)c1ccccc1C", "CC(=O)[O-]", "[Pd+2]"]} |
Using O=C1CC2CCC(C1)N2c1ncccn1, CCOP(=O)(OCC)C(OC)c1ccc(Br)cc1 to produce COC(=C1CC2CCC(C1)N2c1ncccn1)c1ccc(Br)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": ["COCCOC"], "agent": ["[Na+]", "[H-]"]} |
Using NP(N)(=O)NC(=O)c1ccc([N+](=O)[O-])cc1 to produce Nc1ccc(C(=O)NP(N)(N)=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": ["[H][H]", "[Pd]"]} |
Using Nc1nc(Cl)cc(Cl)n1, OC(c1ccc(F)c(F)c1)C(F)(F)F to produce Nc1nc(Cl)cc(OC(c2ccc(F)c(F)c2)C(F)(F)F)n1, 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": ["[Na+]", "[H-]"]} |
Using CCCOc1cccc(-c2cc(=O)n(C)c3ccc(C(=O)c4ccc(Cl)cc4)cc23)c1 to produce CCCOc1cccc(-c2cc(=O)n(C)c3ccc(C(O)c4ccc(Cl)cc4)cc23)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": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using CC(C)(C)OC(=O)Nc1ccc(N2CCCCC2)nc1 to produce Nc1ccc(N2CCCCC2)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": ["CCOCC"], "agent": ["Cl"]} |
Using COP(C)(=O)OC, CCCCC(F)C(=O)OC to produce CCCCC(F)C(=O)CP(=O)(OC)OC, 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": ["[Li]CCCC"]} |
Using CCn1nc(-c2ccc(OCc3ccccc3)cn2)c2ncccc21 to produce CCn1nc(-c2ccc(O)cn2)c2ncccc21, 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": ["[Pd]"]} |
Using c1ccc(C(c2ccccc2)N2CCNCC2)cc1, Cc1[nH]c(-c2ccccc2)nc1C(C)Cl to produce C1CNCCN1, 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+]", "Cl", "[OH-]"]} |
Using CCN(CC)C(=O)OCn1cc(-c2cc3c(C)nc(N)nc3n(C(C)C)c2=O)nn1 to produce Cc1nc(N)nc2c1cc(-c1c[nH]nn1)c(=O)n2C(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": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(C)(C)OC(=O)NCCBr, Oc1ccc2c(c1)C(C1(c3ccc(F)cc3)CCC1)=NCC2 to produce CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(F)cc3)CCC1)=NCC2, 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": ["CCCCCC", "CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using COC(=O)c1ccc(C(=Cc2ccc(-n3cc(C(F)(F)F)cn3)cc2)CC(C)C)cc1 to produce CC(C)CC(=Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(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": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using Clc1nc(Cl)c(Cl)c(Cl)c1Cl, C[C@H](N)CO to produce C[C@@H](CO)Nc1c(Cl)c(Cl)nc(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", "CCN(C(C)C)C(C)C"], "agent": ["CN(C)c1ccncc1"]} |
Using CCCOB(OCCC)OCCC, CCc1nn(-c2ccccc2)c2cc(Br)ccc12 to produce CCc1nn(-c2ccccc2)c2cc(B(O)O)ccc12, 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": ["[Li]CCCC"]} |
Using CN(C)C=C1C(=O)Nc2ccc3ncsc3c21, CC(C)(CO)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 to produce CC(C)(CO)CNS(=O)(=O)Cc1ccc(NC=C2C(=O)Nc3ccc4ncsc4c32)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": ["Cl", "[Pd]"]} |
Using CC(C)N(CC(=O)O)S(=O)(=O)c1ccc(F)cc1, NCC1CN(c2ccc(C(F)(F)F)cn2)CCO1 to produce CC(C)N(CC(=O)NCC1CN(c2ccc(C(F)(F)F)cn2)CCO1)S(=O)(=O)c1ccc(F)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": ["F[P-](F)(F)(F)(F)F", "Cl", "CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C"]} |
Using COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCCC3C)nc2c1 to produce CC1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccccc1, 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", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CO)c1C#N to produce CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C=O)c1C#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": ["ClCCl"], "agent": ["[O-2]", "[Mn+4]"]} |
Using O=C1CCC(Cc2ccc(OCCCCl)cc2)CC1, C1CCNCC1 to produce O=C1CCC(Cc2ccc(OCCCN3CCCCC3)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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using C1COCCN1, N#CCCCBr to produce N#CCCCN1CCOCC1, 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"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CCCC1c2cc(OC)ccc2C2=C(C)C(=O)CCC21 to produce CCCC1c2cc(O)ccc2C2=C(C)C(=O)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": ["BrB(Br)Br"]} |
Using CCCCCCN1CC2C(C1=O)C2(C)c1cccc(-c2ccccn2)c1 to produce CCCCCCN1CC2C(C1)C2(C)c1cccc(-c2ccccn2)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": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using CN1CCNCC1, Cc1cc(Nc2nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(Cl)nc2C(N)=O)ccc1N1CCC(=O)CC1 to produce Cc1cc(Nc2nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(Cl)nc2C(N)=O)ccc1N1CCC(N2CCN(C)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": ["ClCCCl", "ClC(Cl)Cl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using Brc1ccc(-c2ccccc2)c2ccccc12, OB(O)c1ccccc1 to produce OB(O)c1ccc(-c2ccccc2)c2ccccc12, 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": ["CCOCC", "Cc1ccccc1"], "agent": ["Cl"]} |
Using COc1c(Cl)ncnc1Cl, COc1ccc(F)c(-c2ccc(CO)nc2CC(C)(C)C)c1 to produce COc1ccc(F)c(-c2ccc(COc3ncnc(Cl)c3OC)nc2CC(C)(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": ["C1CCOC1"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using COC(=O)C(Cc1c[nH]c2ccccc12)N(COC(C)[Si](C)(C)C)C(=O)OC1C2CC3CC(C2)CC1C3 to produce CC(OCN(C(=O)OC1C2CC3CC(C2)CC1C3)C(Cc1c[nH]c2ccccc12)C(=O)O)[Si](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": ["C1COCCO1", "O"], "agent": ["[Li+]", "Cl", "[OH-]"]} |
Using CC(C=O)Cc1ccc(C(C)C)cc1, Cc1noc(-c2ccc(Br)cc2)c1N to produce Cc1noc(-c2ccc(Br)cc2)c1NCC(C)Cc1ccc(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": ["Cc1ccccc1"], "agent": ["[BH3-]C#N", "[Na+]"]} |
Using COc1ccc(CNc2nc(Cl)c(Cc3cn(S(=O)(=O)c4ccccc4)c4ncc(Cl)cc34)s2)cn1 to produce COc1ccc(CNc2nc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)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": ["CC(=O)O", "CO"], "agent": ["[K+]", "[OH-]"]} |
Using CC(C)(C)OC(=O)N(CCN[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)CCc1ccccc1 to produce O=C(O)C[C@H](Cc1c[nH]c2ccccc12)NCCNCCc1ccccc1, 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": ["CCOCC", "CO"], "agent": ["Cl"]} |
Using OC1COC(O)CO1, COCCn1c(Nc2nc3ccc(Cl)cc3s2)nc2cc(C(=O)NCC3CCNCC3)ccc21 to produce COCCn1c(Nc2nc3ccc(Cl)cc3s2)nc2cc(C(=O)NCC3CCN(CCO)CC3)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": ["[Na+]", "Cl", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using Cc1cc(Br)ccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1, CCI to produce CCN(c1ccc(C(=O)c2ccccc2C)c(Cl)c1)c1ccc(Br)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": ["O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using ClP(C1CCCCC1)C1CCCCC1, CC(C)C(Br)=C(c1ccccc1)c1ccccc1 to produce CC(C)C(=C(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1, 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]CCCC"]} |
Using O=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCC(N4CCC4)CC3)c2)cc1F)OCc1ccccc1 to produce Nc1ccc(Oc2ccnc(NC(=O)N3CCC(N4CCC4)CC3)c2)cc1F, 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]", "[Pd]"]} |
Using COc1ccc(Cc2ncnn2-c2cc(C#Cc3ccc(C)cn3)nc(C)n2)cc1OC to produce COc1ccc(Cc2ncnn2-c2cc(CCc3ccc(C)cn3)nc(C)n2)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": ["CCO", "ClCCl"], "agent": ["[Pd]"]} |
Using CC(C(N)=O)N1C(=O)C(Br)(Br)c2cc(Cl)ccc21 to produce CC(C(N)=O)N1C(=O)Cc2cc(Cl)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": ["CC(=O)O"], "agent": ["[Zn]"]} |
Using Cc1ccc(N(C(=O)OC(C)(C)C)[Si](C)(C)C)cc1[Si](C)(C)C, O=C1CCC(=O)N1Br to produce CC(C)(C)OC(=O)N(c1ccc(CBr)c([Si](C)(C)C)c1)[Si](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": ["ClC(Cl)(Cl)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using COC(=O)C1(Oc2ccc(Cl)cc2C2CC(=O)NC(c3cc(F)ccc3C)C23C(=O)Nc2cc(Cl)ccc23)CCC1 to produce Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2(C(=O)O)CCC2)C12C(=O)Nc1cc(Cl)ccc12, 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", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using N#Cc1ccc(F)cc1C(F)(F)F, FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CCNC1 to produce N#Cc1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F, 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": ["O=C([O-])[O-]", "[K+]"]} |
Using CC1(C)CCN(Cc2ccc(-c3cnc4[nH]c5cnc(Br)cc5c4c3)cc2)CC1, Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1 to produce Cn1cc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCC(C)(C)CC5)cc4)cc23)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": ["CCOC(C)=O", "CC#N"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using O=C(O)c1cccc(O)c1, O=[N+]([O-])c1ccc(Cl)c(Cl)c1 to produce O=C(O)c1cccc(Oc2ccc([N+](=O)[O-])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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using OCc1nc2c(N3CCOCC3)ccnn2c1Br, Clc1ccc2ccccc2n1 to produce Brc1c(COc2ccc3ccccc3n2)nc2c(N3CCOCC3)ccnn12, 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 N#Cc1ncccc1C(=O)[O-], Cc1nc(CCl)cs1 to produce Cc1nc(COC(=O)c2cccnc2C#N)cs1, 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"], "agent": ["[K+]", "C1COCCOCCOCCOCCOCCO1"]} |
Using CON1C(=O)C2(CCN(C(=O)OCc3ccccc3)CC2)CC1=S to produce CON1C(=O)C2(CCNCC2)CC1=S, 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", "CCOCC"], "agent": ["Br"]} |
Using CCOC(=O)c1cc[nH]c1, O=C(Cl)c1cccnc1Cl to produce CCOC(=O)c1c[nH]c(C(=O)c2cccnc2Cl)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": ["c1ccccc1"], "agent": ["Cl[Sn](Cl)(Cl)Cl", "Cl"]} |
Using CCCCCCOC(=O)C(=O)c1cc(O)c(O)c([N+](=O)[O-])c1, NNC(N)=S to produce O=c1[nH]c(S)nnc1-c1cc(O)c(O)c([N+](=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": ["O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using COc1ccccc1N1CCN(CCCN)CC1, CN(C)C(=O)c1cccnc1Cl to produce COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(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": ["O", "CCO"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using CC(=O)OC(C)=O, COc1ccc2c(c1)c(-c1cc3c(ncc4cnc(CCCN)n43)n1CO)cn2C to produce COc1ccc2c(c1)c(-c1cc3c(ncc4cnc(CCCNC(C)=O)n43)n1CO)cn2C, 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", "C1CCOC1"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using NCC(=O)O, CCOC(=O)c1ncc2nc(N(C)c3ccccc3)sc2c1O to produce CN(c1ccccc1)c1nc2cnc(C(=O)NCC(=O)O)c(O)c2s1, 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 Cc1cc(-c2ccccc2)cc([N+](=O)[O-])c1N to produce Cc1cc(-c2ccccc2)cc(N)c1N, 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": ["CCCCCC", "CCOC(C)=O"], "agent": ["[C]", "[Pd]"]} |
Using CC(C)(C)OC(=O)N1CCOC(CCO)C1, BrC(Br)(Br)Br to produce CC(C)(C)OC(=O)N1CCOC(CCBr)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": ["ClCCl"], "agent": ["c1c[nH]cn1"]} |
Using CC(C)(C)OC(=O)N1CCOCC1C(=O)O to produce CC(C)(C)OC(=O)N1CCOCC1CO, 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": ["O=C([O-])[O-]", "[Na+]", "B"]} |
Using COC(=O)CCCC#CCBr, O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 to produce COC(=O)CCCC#CCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)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": ["CCC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CCOC(=O)C1=C(C)C=C(SCCC(=O)O)CC1 to produce CCOC(=O)C1=C(C)C2=C(CC1)SCCC2=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=C(OC(=O)C(F)(F)F)C(F)(F)F", "Cc1ccccc1"], "agent": ["CS(=O)(=O)O"]} |
Using N#Cc1cccc(C#N)c1Cl, COC(=O)CS to produce COC(=O)c1sc2c(C#N)cccc2c1N, 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+]"]} |
Using BrCCCCCCOCCCCc1ccccc1, CCOCc1nc2cnc3ccccc3c2n1CCO to produce CCOCc1nc2cnc3ccccc3c2n1CCOCCCCCCOCCCCc1ccccc1, 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 OC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1 to produce O=C1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)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": ["ClCCl"], "agent": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]} |
Using COc1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1 to produce Oc1ccc2nc(Nc3c(Cl)cccc3Cl)[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": ["CC(=O)O"], "agent": ["Br", "Cl"]} |
Using COC(=O)CCN1CCN(CCCOc2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)C(=O)C1=O to produce COC(=O)CCN1CCN(CCCOc2ccc(C(=N)N)cc2)C(=O)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": ["CN(C)C=O"], "agent": ["Cl", "[C]", "[Pd]"]} |
Using Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2=O to produce Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)CN(C1CCN(C)CC1)C2=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": ["CC(=O)O"], "agent": ["[Zn]"]} |
Using CON(C)C(=O)c1ccccc1C, Br[Mg]C1CC1 to produce Cc1ccccc1C(=O)C1CC1, 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", "C1CCOC1"], "agent": ["Cl"]} |
Using OB(O)c1cccc2ccccc12, CC(C)(C)OC(=O)N1CCN(CC(c2ccc(O)cc2)C2(O)CCCCC2)CC1 to produce CC(C)(C)OC(=O)N1CCN(CC(c2ccc(Oc3cccc4ccccc34)cc2)C2(O)CCCCC2)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", "CCN(CC)CC"], "agent": ["[Cu+2]", "CC(=O)[O-]"]} |
Using O=C1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21, NO to produce ON=C1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21, 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": ["CC(=O)[O-]", "[Na+]", "Cl"]} |
Using Clc1ccnc(Cl)n1, CCOC(=O)CC1OB(O)c2cc(O)cc(C)c21 to produce CCOC(=O)CC1OB(O)c2cc(Oc3ccnc(Cl)n3)cc(C)c21, 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": ["O=C([O-])[O-]", "[Cs+]"]} |
Using COC(=O)c1cc(C)c(C(=O)OC)c([N+](=O)[O-])c1C to produce COC(=O)c1c(C)cc(C(=O)O)c(C)c1[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": ["C1COCCO1", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using C=CCCO, CC(Cl)C(=O)O to produce C=CCCOC(=O)C(C)Cl, 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", "COC(C)(C)C"], "agent": ["O=S(=O)(O)O", "O=C([O-])[O-]", "[Na+]"]} |
Using CC(C)(C)OC(=O)N1CCC(CCN=[N+]=[N-])CC1 to produce CC(C)(C)OC(=O)N1CCC(CCN)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": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1"]} |
Using CN(C)CCn1c(CC(C)(C)C)nc2cc(Br)ccc21, CC(C)(C)OC(=O)N1CC[C@@H](S)C1 to produce CN(C)CCn1c(CC(C)(C)C)nc2cc(S[C@@H]3CCN(C(=O)OC(C)(C)C)C3)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": ["C1COCCO1", "CCN(C(C)C)C(C)C"], "agent": ["O=C(/C=C/c1ccccc1)/C=C/c1ccccc1", "CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21", "[Pd]"]} |
Using CN1CCN(C(=O)COC(=O)c2cccc(CN3CN(c4ccccc4)C4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c2)CC1 to produce CN1CCN(C(=O)COC(=O)c2cccc(CN3CN(c4ccccc4)C4(CCNCC4)C3=O)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": ["C1COCCO1"], "agent": ["Cl"]} |
Using CI, CC(O)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1 to produce COC(C)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)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": ["[H][H]", "[Na+]", "[H-]"]} |
Using Cc1nn(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cc1C1=CC(=O)CCC1 to produce Cc1nn(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cc1C1CCCC(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": ["[Na+]", "[Pd]", "[BH4-]"]} |
Using Cc1noc(-c2ccc(Br)cc2)c1C=O, c1ccc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 to produce Cc1noc(-c2ccc(Br)cc2)c1C=CCCc1ccccc1, 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": ["[Br-]", "[Li]CCCC", "Cl"]} |
Using CCOC(=O)O[C@@H]1C=C[C@H](n2cnc3c(Cl)nc(Cl)nc32)C1, CCc1cn[nH]n1 to produce CCc1cn([C@@H]2C=C[C@H](n3cnc4c(Cl)nc(Cl)nc43)C2)nn1, 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", "O=C(/C=C/c1ccccc1)/C=C/c1ccccc1", "[Pd]"]} |
Using C[Si](C)(C)[N-][Si](C)(C)C, N#Cc1ccc(C2CCCc3cncn32)c(-c2ccccc2)c1 to produce CC1(c2ccc(C#N)cc2-c2ccccc2)CCCc2cncn21, 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": ["CI", "C1CCOC1"], "agent": ["[Li+]"]} |
Using C[S-], Cc1cc(F)ncc1-c1ccc2cc(N)ncc2c1 to produce CSc1cc(C)c(-c2ccc3cc(N)ncc3c2)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": ["CC(=O)N(C)C"], "agent": ["[Na+]"]} |
Using Clc1cnn(CCCCN2CCN(c3ncc(OCc4ccccc4)cn3)CC2)c1 to produce Oc1cnc(N2CCN(CCCCn3cc(Cl)cn3)CC2)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"], "agent": ["[Pd]"]} |
Using CC(C)c1noc(N2CCC(COc3ccc(Br)nc3)CC2)n1, CS(=O)(=O)c1ccc(B(O)O)cc1 to produce CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(C)(=O)=O)cc4)nc3)CC2)n1, 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": ["COCCOC"], "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 Cc1ccc(S(=O)(=O)n2ccc3c2ncc2nnc([C@@H]4CC[C@H](N)C4)n23)cc1, O=S(=O)(Cl)CCCCl to produce Cc1ccc(S(=O)(=O)n2ccc3c2ncc2nnc([C@@H]4CC[C@H](NS(=O)(=O)CCCCl)C4)n23)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": ["O=C(O)CC(O)(CC(=O)O)C(=O)O", "Cl"]} |
Using O=C(Oc1ccccc1)c1c2ccccc2nc2c1ccc1ccccc12 to produce O=C(Oc1ccccc1)C1c2ccccc2Nc2c1ccc1ccccc21, 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": ["[NH4+]", "[Cl-]", "[Zn]"]} |
Using COC(=O)CC/C(=N\OCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)c1ccccc1 to produce Cc1oc(-c2ccccc2)nc1CCOc1ccc(CO/N=C(\CCC(=O)O)c2ccccc2)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", "CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using CO[C@H]1O[C@H](CO[C@H]2O[C@H](COCc3ccccc3)[C@H](OC(C)=O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 to produce CO[C@H]1O[C@H](CO[C@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1, 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", "CO"], "agent": ["C[O-]", "[Na+]"]} |
Using CCOC(=O)Cn1c(Cl)cnc(N[C@@H]2CN(S(C)(=O)=O)C[C@H]2c2ccccn2)c1=O to produce CS(=O)(=O)N1C[C@@H](Nc2ncc(Cl)n(CC(=O)O)c2=O)[C@H](c2ccccn2)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+]", "Cl", "[OH-]"]} |
Using OCCS, Clc1ccc(C(OCCBr)c2ccc(Cl)cc2)cc1 to produce OCCSCCOC(c1ccc(Cl)cc1)c1ccc(Cl)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", "Cc1ccccc1"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using O=c1[nH]ccc2cc(Cl)nc(Cl)c12, CI to produce Cn1ccc2cc(Cl)nc(Cl)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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using CC(F)(F)C(=O)O, C[C@H](N)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCC2 to produce C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCC2, 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(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C", "Cl"]} |
Using Oc1cccc(Cc2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1, COC(=O)c1cccc(CBr)c1 to produce COC(=O)c1cccc(COc2cccc(Cc3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)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": ["CC#N"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Subsets and Splits