smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC1=C(C=CC(=C1)C(F)(F)F)N>O.ClCCl.BrN1C(CCC1=O)=O>BrC1=C(N)C(=CC(=C1)C(F)(F)F)C | 3 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[CH:5]=[CH:4][N:3]=1.[OH:9][C@@H:10]1[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11]1.C(=O)([O-])[O-].[Cs+].[Cs+]>CS(C)=O.C(OCC)(=O)C>[Cl:1][C:2]1[N:7]=[C:6]([O:9][C@@H:10]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[... | 1 |
[OH:1][C:2]1[CH:3]=[C:4]([C:9]([C@@H:11]2[C@:20]3([CH3:21])[C@H:15]([C:16]([CH3:23])([CH3:22])[CH2:17][CH2:18][CH2:19]3)[CH2:14][C@@H:13]([NH:24]/[C:25](=[N:34]/C(OC(C)(C)C)=O)/[NH:26]C(=O)OC(C)(C)C)[C@H:12]2[CH3:42])=[O:10])[CH:5]=[C:6]([OH:8])[CH:7]=1.FC(F)(F)C(O)=O>C(Cl)Cl>[OH:1][C:2]1[CH:3]=[C:4]([C:9]([C@@H:11]2[C... | 2 |
[C:1]([N:4]1[CH2:25][C:12]2([CH2:17][CH2:16][N:15]([CH:18]3[CH2:23][CH2:22][C:21](=O)[CH2:20][CH2:19]3)[CH2:14][CH2:13]2)[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH2:5]1)(=[O:3])[CH3:2].Cl.[CH2:27]([O:29][NH2:30])[CH3:28]>N1C=CC=CC=1>[CH2:27]([O:29][N:30]=[C:21]1[CH2:20][CH2:19][CH:18]([N:15]2[CH2:14][CH2:13][C:12]3... | 1 |
Br[C:2]1[CH:9]=[CH:8][C:7]([C:10]([F:13])([F:12])[F:11])=[CH:6][C:3]=1[C:4]#[N:5].[NH2:14][NH2:15]>C(O)C>[NH2:5][C:4]1[C:3]2[C:2](=[CH:9][CH:8]=[C:7]([C:10]([F:13])([F:12])[F:11])[CH:6]=2)[NH:15][N:14]=1 | 1 |
C[N:2](C)/[CH:3]=[CH:4]/[C:5]([C:7]1[CH:12]=[CH:11][N:10]=[C:9]([S:13][CH3:14])[N:8]=1)=O.Cl.[NH2:17]N>C(O)C>[CH3:14][S:13][C:9]1[N:8]=[C:7]([C:5]2[NH:17][N:2]=[CH:3][CH:4]=2)[CH:12]=[CH:11][N:10]=1 | 1 |
C(CC)(=O)OCC.C(C)OC(C1=CC=C(\C=N\C2=C3COC(C3=CC=C2)=O)C=C1)OCC.C(=O)C1=CC=C(C(=O)N(C)C)C=C1>>C(C)OC(C1=CC=C(C=C1)C1NC=2C=CC=C(C2C(C1C1=CC=C(C=C1)C(N(C)C)=O)=O)C(=O)OCC)OCC | 5 |
C[Si](C)(C)C#C.BrC=1C(=NC=C(N1)C1=CC=C(C=C1)S(=O)(=O)C(C)C)N>>C(C)(C)S(=O)(=O)C1=CC=C(C=C1)C=1N=C(C(=NC1)N)C#C[Si](C)(C)C | 5 |
CC=1C=C(CN)C=CC1C.BrC1=C(C=C(C=C1F)Cl)F>CS(=O)C.C(C)(C)N(C(C)C)CC>BrC1=C(NCC2=C(C=C(C=C2)OC)OC)C=C(C=C1F)Cl | 3 |
C(C)(C)(C)OC(CN1C(=C(C2=CC=C(C(=C12)F)Cl)SC=1C(=C(C(=O)OCC)C=CC1)F)C1CC1)=O>>ClC1=CC=C2C(=C(N(C2=C1F)CC(=O)O)C1CC1)SC1=C(C(=CC=C1)C(=O)OCC)F | 5 |
BrCCOCCBr.ClC=1C=C(C=CC1)C=1N=C(SC1)NC1=CC(=CC=C1)C(F)(F)F>N(C)(C)C=O.[H-].[Na+]>BrCCOCCN(C=1SC=C(N1)C1=CC(=CC=C1)Cl)C1=CC(=CC=C1)C(F)(F)F | 3 |
[Si]([O:8][CH2:9][C@@H:10]([N:12]1[CH:16]=[C:15]([CH3:17])[N:14]=[CH:13]1)[CH3:11])(C(C)(C)C)(C)C.Cl>C(Cl)Cl.CCOCC>[CH3:17][C:15]1[N:14]=[CH:13][N:12]([C@@H:10]([CH3:11])[CH2:9][OH:8])[CH:16]=1 | 1 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=CC(=NN1C=1C=CC(=NC1)OC)O>>C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=CC(=NN1C=1C=CC(=NC1)OC)OC | 5 |
O.C(CC(O)(C(=O)O)CC(=O)O)(=O)O.S1C=CC2=C1C=CC(=C2)CCOCCCN2CC(C2)O>CCO[H]>C(CC(O)(C(=O)O)CC(=O)O)(=O)O.S1C=CC2=C1C=CC(=C2)CCOCCCN2CC(C2)O | 3 |
[CH2:1]([CH:3]1[CH2:8][O:7][CH:6]([C:9]2[CH:14]=[CH:13][C:12](B3OC(C)(C)C(C)(C)O3)=[C:11]([F:24])[CH:10]=2)[CH2:5][CH2:4]1)[CH3:2].Br[C:26]1[CH:31]=[C:30]([F:32])[C:29]([C:33]([F:48])([F:47])[O:34][C:35]2[CH:36]=[C:37]([F:46])[C:38]([C:42]([F:45])([F:44])[F:43])=[C:39]([F:41])[CH:40]=2)=[C:28]([F:49])[CH:27]=1.C(N(CC)C... | 1 |
[CH:1]([O:4][C:5](=[O:23])[N:6]([C@H:8]1[CH2:12][CH2:11][N:10]([C:13]2[CH:14]=[CH:15][C:16]3[N:17]([C:19](Br)=[CH:20][N:21]=3)[N:18]=2)[CH2:9]1)[CH3:7])([CH3:3])[CH3:2].[CH3:24][O:25][C:26]1[C:31](B(O)O)=[CH:30][CH:29]=[CH:28][N:27]=1.C([O-])([O-])=O.[K+].[K+]>CC#N.O.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)... | 1 |
CI.C1(=CC=CC=C1)C=1N=CNC1C=O>>CN1C=NC(=C1C=O)C1=CC=CC=C1 | 5 |
C1(CCCCC1)C(O)C1=C(SC(=C1)C1OCCO1)CC>C1(=CC=CC=C1)C.ClS(Cl)=O.c1ccncc1>ClC(C=1C=C(SC1CC)C1OCCO1)C1CCCCC1 | 3 |
ClC1=C(C=CC=C1)C1=NN(C=C1C(=O)OCC)C>>ClC1=C(C=CC=C1)C1=NN(C=C1C(=O)O)C | 5 |
COC(=O)C1=NC(=C(N=C1)N)OCC1CC1>N(=O)OC(C)(C)C.C[Si](C)(C)Br.BrCBr>COC(=O)C1=NC(=C(N=C1)Br)OCC1CC1 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.IC1=CC=C(C=C1)CCNS(=O)(=O)C>>C(C)(C)(C)OC(=O)N(S(=O)(=O)C)CCC1=CC=C(C=C1)I | 5 |
[NH2:1][C:2]1[CH:7]=[CH:6][N:5]=[CH:4][C:3]=1[S:8]([NH:11][C:12]([CH:14]1[CH2:18][CH2:17][CH2:16][CH2:15]1)=O)(=[O:10])=[O:9]>CN(C=O)C.P(Cl)(Cl)(Cl)=O>[CH:14]1([C:12]2[NH:1][C:2]3[CH:7]=[CH:6][N:5]=[CH:4][C:3]=3[S:8](=[O:10])(=[O:9])[N:11]=2)[CH2:18][CH2:17][CH2:16][CH2:15]1 | 1 |
[O:1]=[C:2]1[NH:6][CH:5]2[CH:7]([CH2:10][C:11]([OH:13])=[O:12])[CH2:8][CH2:9][CH:4]2[CH2:3]1>C(OC(=O)C)(=O)C>[O:1]=[C:2]1[NH:6][CH:5]2[CH:7]([CH2:10][C:11]([OH:13])=[O:12])[CH2:8][CH2:9][CH:4]2[CH2:3]1.[CH2:3]1[CH:4]2[CH2:9][CH2:8][CH:7]3[CH:5]2[N:6]([C:11](=[O:13])[CH2:10]3)[C:2]1=[O:1] | 1 |
CN.BrCC(O)C1=CC=C(S1)C#N>>OC(CNC)C1=CC=C(S1)C#N | 5 |
[CH:1]1([NH:4][C:5](=[O:23])[C:6]2[CH:11]=[CH:10][C:9]([CH3:12])=[C:8]([NH:13][C:14](=[O:22])[C:15]3[CH:20]=[CH:19][C:18]([OH:21])=[CH:17][CH:16]=3)[CH:7]=2)[CH2:3][CH2:2]1.[CH3:24][O:25][C:26]1[CH:31]=[CH:30][N:29]=[C:28]([CH2:32]O)[CH:27]=1.C(P(CCCC)CCCC)CCC.N(C(OC(C)C)=O)=NC(OC(C)C)=O>C1COCC1>[CH:1]1([NH:4][C:5](=[O... | 1 |
[OH:1][CH:2]([CH2:12][Cl:13])[CH2:3][N:4]1[CH:8]=[C:7]([N+:9]([O-:11])=[O:10])[N:6]=[N:5]1.[NH:14]1[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]1>C1COCC1>[ClH:13].[OH:1][CH:2]([CH2:12][N:14]1[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]1)[CH2:3][N:4]1[CH:8]=[C:7]([N+:9]([O-:11])=[O:10])[N:6]=[N:5]1 | 1 |
COC=1C=C2CN(C(C2=CC1)=O)C>CO[H].ClCCl.B(Br)(Br)Br>OC=1C=C2CN(C(C2=CC1)=O)C | 3 |
ClC=1C=C(C=CC1Cl)N1CCC(CC1)N(C(C(F)(F)F)=O)C>CO[H].C([O-])([O-])=O.[K+].[K+]>Cl.ClC=1C=C(C=CC1Cl)N1CCC(CC1)NC | 3 |
FC=1C=C(C=CC1OC)N1CC(CC1=O)NC(OCC1=CC=CC=C1)=O>>NC1CC(N(C1)C1=CC(=C(C=C1)OC)F)=O | 5 |
COC1=C(C=CC=C1)[Mg]Br.ClC1=CC=C2CCC(C2=C1)=O>>COC1=C(C=CC=C1)C1=CCC2=CC=C(C=C12)Cl | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@H]1C(NOC1)=O>O.C1CCCO1.CCN(CC)CC>O=C1NOC[C@H]1NC(OC(C)(C)C)=O | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([CH3:14])[C:10]=1[N+:11]([O-:13])=[O:12])[C:5]([OH:7])=O.C(N1C=CN=C1)(N1C=CN=C1)=O.[NH2:27][CH2:28][C:29]([CH3:32])([OH:31])[CH3:30]>O1CCCC1>[N+:11]([C:10]1[C:9]([CH3:14])=[CH:8][C:4]([C:5]([NH:27][CH2:28][C:29]([OH:31])([CH3:32])[CH3:30])=[O:7])=[CH:3][C:2]=1[CH3:1])([O-:13])=[O:... | 1 |
CNN.C(C)OC(C(C(C(C)C1=CC=CC=C1)=O)=CN(C)C)=O>O.CCN(CC)CC.CCO[H]>CN1N=C(C(=C1)C(=O)OCC)C(C)C1=CC=CC=C1 | 3 |
BrC=1C=C(C(=O)OC)C=CC1CBr.NC[C@@H](C(C)C)O>CC#N.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>BrC=1C=C(C(=O)OC)C=CC1CNC[C@@H](C(C)C)O | 3 |
OC[C@@H]1C[C@H](CCC1)NC(OCC1=CC=CC=C1)=O>CCO[H].[HH].[Pd]>N[C@@H]1C[C@H](CCC1)CO | 3 |
[CH2:1]([C:8]1[S:12][C:11]([NH:13][C:14](=[O:23])[C:15]2[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=2)=[N:10][C:9]=1[C:24]1[CH:29]=[CH:28][C:27]([O:30]C)=[CH:26][CH:25]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.B(Br)(Br)Br>>[CH2:1]([C:8]1[S:12][C:11]([NH:13][C:14](=[O:23])[C:15]2[CH:20]=[CH:19][C:18]([O:21][C... | 1 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.BrC=1C=CC2=C(OCC(N2)=O)C1>N(C)(C)C=O>C(C)(=O)C1=CC2=C(NC(CO2)=O)C=C1 | 3 |
[CH3:1][C:2](=[N:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:16]([O:18][CH2:19][CH3:20])=[O:17])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1>[Pd].C(O)C>[CH3:1][CH:2]([NH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:16]([O:18][CH2:19][CH3:20])=[O:17])[C:3]1[CH:4]=[CH:5][CH:6]=[CH:7][CH:8]=1 | 1 |
[C:1]([C@@H:3]1[CH2:7][CH2:6][CH2:5][N:4]1[C:8]([C@H:10]1[NH:14][C:13](=[O:15])[C@H:12]([CH2:16][C:17]([OH:19])=O)[CH2:11]1)=[O:9])#[N:2].C1C=CC2N(O)N=NC=2C=1.C(Cl)CCl.[CH2:34]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH2:36][NH:35]1>O1CCOCC1.C(Cl)Cl>[CH2:34]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH2:3... | 1 |
[CH:1]1([C@@H:6]2[NH:11][C:10](=[O:12])[C@H:9]([CH2:13][CH:14]([CH3:16])[CH3:15])[NH:8][CH2:7]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]2[O:28][N:27]=[C:26]([C:29](O)=[O:30])[CH:25]=2)=[CH:20][CH:19]=1.C([C@@H]1N(C(=O)/C=C/C2C=CC=CC=2)C[C@H](CC(C)C)NC1=O)C(C)C>>[Cl:17][C:18]1[CH:19]=[CH:... | 2 |
C(=O)(O)[O-:2].[Na+].[C:6]([O:9][CH2:10][C:11]1[CH2:12][S:13][C@@H:14]2[CH:21]([NH:22][C:23](=[O:31])[CH2:24][C:25](=O)[CH2:26][S:27][C:28]#[N:29])[C:20](=[O:32])[N:15]2[C:16]=1[C:17]([OH:19])=[O:18])(=[O:8])[NH2:7].C(OCC)(=O)C.P(=O)(O)(O)O>P([O-])([O-])([O-])=O>[C:6]([O:9][CH2:10][C:11]1[CH2:12][S:13][C@@H:14]2[CH:21]... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[NH:8][C:7](=[O:12])[N:6]([CH2:13][C:14]([F:17])([F:16])[F:15])[C:5]2([C:19]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=1)O.[CH2:26](N(CC)CC)[CH3:27].S(Cl)(Cl)=O.C([Mg]Br)C.C1COCC1.C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C1(C)C=CC=CC=1.C(OCC)(=O)C>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=... | 1 |
Cl.[NH2:2][C:3]1[CH:14]=[CH:13][C:6]2[N:7]([CH3:12])[C:8](=[O:11])[N:9]([CH3:10])[C:5]=2[CH:4]=1.C(O[CH:18]=[C:19]([C:25](=[O:32])[NH:26][C:27](OCC)=[O:28])[C:20]([O:22][CH2:23][CH3:24])=[O:21])C.C(N(CC)CC)C.CC(C)([O-])C.[K+]>C(O)C>[CH3:12][N:7]1[C:6]2[CH:13]=[CH:14][C:3]([N:2]3[CH:18]=[C:19]([C:20]([O:22][CH2:23][CH3:... | 2 |
[NH2:1][CH2:2][CH2:3][CH2:4][O:5][C:6]1[CH:7]=[C:8]2[C:13](=[CH:14][CH:15]=1)[N:12]([CH3:16])[C:11](=[O:17])[CH:10]=[CH:9]2.Br[C:19]1[C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[C:22]([O:29][CH3:30])=[N:21][CH:20]=1.CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.CC(C)([O-])C.[... | 1 |
C(=O)(OC(C)(C)C)N1CCNCC1.FC1=C(C=O)C=CC(=C1)F>C([O-])([O-])=O.[K+].[K+].CS(=O)C>FC=1C=C(C=CC1C=O)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
CNC1=NC=CC=C1[N+](=O)[O-]>>CNC1=NC=CC=C1N | 5 |
[CH:1]1([C:6]2[NH:7][C:8]3[CH2:9][C:10]([CH3:35])([CH3:34])[CH2:11][C:12](=[O:33])[C:13]=3[CH:14]([CH:28]3[CH2:32][CH2:31][CH2:30][CH2:29]3)[C:15]=2[C:16](=[O:27])[C:17]2[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][CH:18]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.ClC1C(=O)C(C#N)=C(C#N)C(=O)C=1Cl>ClCCl>[CH:1]1([C:6... | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([C:12]2[CH:17]=[CH:16][C:15]([CH2:18][CH:19]=O)=[CH:14][CH:13]=2)(=[O:11])=[O:10])=[CH:5][CH:4]=1.[ClH:21].[NH2:22][CH2:23][C@H:24]([OH:33])[CH2:25][O:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[OH-].[Na+]>ClCCCl.C(OCC)(=O)C.C(O)(=O)... | 2 |
N1C[C@@H](CC1)O.ClC1=NC=C(C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C=C1C1=C(C=NN1C1OCCCC1)C>C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CC(C)O>O[C@H]1CN(CC1)C1=NC=C(C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C=C1C1=C(C=NN1C1OCCCC1)C | 3 |
IC=1SC=CC1.FC(CCO)(F)F>>FC(CCOC=1SC=CC1)(F)F | 5 |
BrCC(=O)OC(C)(C)C.N1=C(C=CC=C1)N1C(NCC1)=O>>O=C1N(CCN1C1=NC=CC=C1)CC(=O)OC(C)(C)C | 5 |
CC1(CC(NC2=CC=C(C=C12)C)C1=C(C=CC=C1)[N+](=O)[O-])C>>CC1(CC(NC2=CC=C(C=C12)C)C1=C(N)C=CC=C1)C | 5 |
C(C)(C)(C)OC(=O)NC=1C(=CSC1)NC(=O)C1=NC=C(C=C1)COS(=O)(=O)C>ClCCl.CN(CCN)C>C(C)(C)(C)OC(=O)NC=1C(=CSC1)NC(=O)C1=NC=C(C=C1)CNCCN(C)C | 3 |
O.O.[P:3]([O-:7])([O-:6])([O-:5])=[O:4].[Ca+2:8].[Ca+2].C1C2[C@@H]3C=C[C@H](C2C=C1)C3.[N+]([O-])([O-])=O.[Ca+2].[N+]([O-])([O-])=O.[O-:29][P:30]([O:33]P([O-])([O-])=O)(=[O:32])[O-:31].[Ca+2].[Ca+2]>OP([O-])([O-])=O.OP([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O.[O-]P([O... | 1 |
C(C)(C)(C)OC(=O)NCC(=O)O.CC[C@@]1(C2=C(COC1=O)C(=O)N3CC=4C=C5C(C=CC(=C5CN(C)C)O)=NC4C3=C2)O>>CC(C)(C)OC(=O)NCC(=O)O.CC[C@@]1(C2=C(COC1=O)C(=O)N3CC=4C=C5C(C=CC(=C5CN(C)C)O)=NC4C3=C2)O | 5 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].[CH2:7]([C:11]1[CH:12]=[C:13]([CH:19]=[CH:20][CH:21]=1)[C:14](OCC)=[O:15])[CH2:8][CH:9]=[CH2:10]>C1COCC1>[CH2:7]([C:11]1[CH:12]=[C:13]([CH2:14][OH:15])[CH:19]=[CH:20][CH:21]=1)[CH2:8][CH:9]=[CH2:10] | 2 |
[CH:1]1([C:7]2[C:8]3[CH:9]=[CH:10][C:11]([C:39](O)=[O:40])=[CH:12][C:13]=3[N:14]3[CH2:20][C:19]([C:21]([N:23]4[CH2:28][CH2:27][CH:26]([N:29]5[CH2:34][CH2:33][O:32][CH2:31][CH2:30]5)[CH2:25][CH2:24]4)=[O:22])=[CH:18][C:17]4[CH:35]=[CH:36][CH:37]=[CH:38][C:16]=4[C:15]=23)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)C(C)C)... | 1 |
COC1=C2C(NC(=NC2=CC(=C1)OC)C1=CC=C(C=C1)C1=CCN(CC1)C(=O)OC(C)(C)C)=O>CCO[H].[HH].[Pd].C(C)(=O)O>COC1=C2C(NC(=NC2=CC(=C1)OC)C1=CC=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C)=O | 3 |
C1(CC1)C1=CN=CC(=N1)C1=CN(C2=CC=C(C=C12)C1=NN=C(O1)NCC1=CC=C(C=C1)OC)S(=O)(=O)C1=CC=C(C)C=C1>>C1(CC1)C1=CN=CC(=N1)C1=CN(C2=CC=C(C=C12)C1=NN=C(O1)N)S(=O)(=O)C1=CC=C(C)C=C1 | 5 |
[CH3:1][C@H:2]1[C@H:6]([CH2:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[NH:5][C:4](=[O:14])[CH2:3]1.F[B-](F)(F)F.[CH3:20][O+](C)C>C(Cl)Cl>[CH3:20][O:14][C:4]1[CH2:3][C@@H:2]([CH3:1])[C@H:6]([CH2:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[N:5]=1 | 1 |
C1(C=2C(C(N1)=O)=CC=CC2)=O.ClC=1C=CC(=C(C(=O)C2=C(C=CC=C2F)F)C1)N1C(=NN=C1CO)CCN(C)C>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OCC)C(=O)OCC>ClC=1C=CC(=C(C(=O)C2=C(C=CC=C2F)F)C1)N1C(=NN=C1CN1C(C=2C(C1=O)=CC=CC2)=O)CCN(C)C | 3 |
FCCN1C2=CC=CC=C2C=2C(CCCC12)C(=O)O>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>FCCN1C2=CC=CC=C2C=2C(CCCC12)C(=O)Cl | 3 |
[CH3:1][C:2]([S:7][CH2:8][C@H:9]1[CH2:14][CH2:13][CH2:12][CH2:11][O:10]1)([CH3:6])[C:3]([OH:5])=O.C(Cl)(=O)C(Cl)=O.[C:21]([Si:25]([C:43]1[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=1)([C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1)[O:26][CH2:27][C:28]([C:31]1[S:35][C:34]([NH2:36])=[N:33][N:32]=1)([CH3:30])[CH3:29])([CH3:24])... | 1 |
[N+](=O)([O-])C1=C(C(=O)O)C=CC=C1.Cl.C(C)N(CCCN=C=NCC)CC.ClC=1C=C(C=C(C1)Cl)C1(CC(=NO1)C=1C=CC(=C(N)C1)C)C(F)(F)F>>ClC=1C=C(C=C(C1)Cl)C1(CC(=NO1)C=1C=CC(=C(C1)NC(C1=C(C=CC=C1)[N+](=O)[O-])=O)C)C(F)(F)F | 5 |
CI.C(C1=CC=CC=C1)OC[C@@H]1[C@]2(C)[C@@H](CC1)[C@@H]1C[C@H]([C@H]3C[C@H](CC[C@]3(C)[C@H]1CC2)OCOC)O>O.C1CCCO1.CO[H].[H-].[Na+]>C(C1=CC=CC=C1)OC[C@@H]1[C@]2(C)[C@@H](CC1)[C@@H]1C[C@H]([C@H]3C[C@H](CC[C@]3(C)[C@H]1CC2)OCOC)OC | 3 |
C(=O)(OC(C)(C)C)NCCN.CS(=O)(=O)OC[C@H](CCOS(=O)(=O)C)C>>C[C@@H]1CN(CC1)CCNC(OC(C)(C)C)=O | 3 |
C(C)(=O)C1=CC=C(C(=O)O)C=C1>CO[H].ClCCl.CCN(CC)CC.P(=O)(Cl)(Cl)Cl>C(C)(=O)C1=CC=C(C(=O)OC)C=C1 | 3 |
C(OC([N:8]1[CH2:17][CH2:16][C:15]2[NH:14][N:13]=[C:12]([C:18]3[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=3)[C:11]=2[CH2:10][CH2:9]1)=O)(C)(C)C.[F:25][C:26]1[CH:27]=[C:28]([CH:31]=[CH:32][C:33]=1[CH3:34])[CH2:29]Br>>[Cl:24][C:21]1[CH:20]=[CH:19][C:18]([C:12]2[C:11]3[CH2:10][CH2:9][NH:8][CH2:17][CH2:16][C:15]=3[N:14](... | 1 |
ClC1=NC=C(C(=N1)C=1C=CC(=C(C(=O)OC)C1)C)Cl>O.ClCCCl>BrCC1=C(C(=O)OC)C=C(C=C1)C1=NC(=NC=C1Cl)Cl | 3 |
COCCO.BrC=1C(=NC=C(C1)[N+](=O)[O-])Cl>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C(=NC=C(C1)[N+](=O)[O-])OCCOC | 3 |
[C:1]1([CH2:9][OH:10])[CH:6]=[CH:5][C:4]([CH2:7][OH:8])=[CH:3][CH:2]=1.F[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=1.CN(C)C=O.[H-].[Na+]>O>[N:13]1[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=1[O:8][CH2:7][C:4]1[CH:5]=[CH:6][C:1]([CH2:9][OH:10])=[CH:2][CH:3]=1 | 1 |
C1COCCN1.ClC1=CC=C(C=N1)C(=O)NC1=NN(C(=C1)C1=NC2=C(N1)C=CC(=C2)OC(F)(F)F)CC2=CC=C(C=C2)OC>C(C)(=O)OCC.CS(=O)C.C(C)(C)N(C(C)C)CC>COC1=CC=C(C=C1)CN1N=C(C=C1C1=NC2=C(N1)C=CC(=C2)OC(F)(F)F)NC(=O)C=2C=NC(=CC2)N2CCOCC2 | 3 |
BrC=1C(=C(C=CC1)N1N=C(C(C(=C1)OC)=O)C1=CC=NN1C1=CC=CC=C1)F.Cl.FC(C1CNCC1)(F)F>>FC1=C(C=CC=C1N1CC(CC1)C(F)(F)F)N1N=C(C(C(=C1)OC)=O)C1=CC=NN1C1=CC=CC=C1 | 5 |
C(CCC)OC1=NN(C(=C1)C=O)CC1=C(C=C(C=C1)C(F)(F)F)Cl>>C(CCC)OC1=NN(C(=C1)/C=C/C(=O)OCC)CC1=C(C=C(C=C1)C(F)(F)F)Cl | 5 |
C(=C)C=1C=C(C=CC1)B(O)O.NC=1N(C(C2(N1)CC(OC1=CC=C(C=C12)Br)C1=CC=CC=C1)=O)C>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>NC=1N(C(C2(N1)CC(OC1=CC=C(C=C12)C1=CC(=CC=C1)C=C)C1=CC=CC=C1)=O)C | 3 |
OC=1C(=CN=C2C=CC(=NC12)C#N)F>N(C)(C)C=O.P(Br)(Br)Br>BrC=1C(=CN=C2C=CC(=NC12)C#N)F | 3 |
C[Sn](C)(C)Cl.CC=1C=CC2=C(C=CO2)C1>C1CCCO1.C(CCC)[Li]>C[Sn](C=1OC2=C(C1)C=C(C=C2)C)(C)C | 3 |
C1(CC1)B(O)O.BrC=1C=C2C(=NC1)N(C=C2)C2=C(C(=NN2C)C)/C=C/C(=O)NS(=O)(=O)NCCCC>>C(CCC)NS(=O)(=O)NC(\C=C\C=1C(=NN(C1N1C=CC=2C1=NC=C(C2)C2CC2)C)C)=O | 5 |
[I:1]Cl.Cl.Cl.[NH2:5][CH2:6][C:7]1[CH:12]=[C:11]([C:13]([CH3:16])([CH3:15])[CH3:14])[N:10]=[CH:9][C:8]=1[OH:17].[OH-].[NH4+]>Cl.O>[I:1][C:9]1[C:8]([OH:17])=[C:7]([CH2:6][NH2:5])[CH:12]=[C:11]([C:13]([CH3:14])([CH3:16])[CH3:15])[N:10]=1 | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][N:11]2[CH2:16][CH2:15][N:14](C(OC(C)(C)C)=O)[CH2:13][CH2:12]2)=[CH:5][C:4]=1[NH:24][CH3:25])#[N:2].C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:25][NH:24][C:4]1[CH:5]=[C:6]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[CH:7]=[CH:8][C:3]=1[C:1]#[N:2] | 1 |
[Br:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][NH:8]2)=[CH:4][CH:3]=1.Br[CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[CH:14]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O.C(OCC)(=O)C>[Br:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][N:8]2[CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[CH:14]=2)=[CH:4][CH:3]=1 | 1 |
ClC1=NC(=CC2=CC=C(C=C12)OC)Cl>C(C)(=O)O.[P].I>ClC=1N=CC2=CC(=CC=C2C1)OC | 3 |
COC1=CC=C(C2=C1N=C(S2)C(=O)O)N2CCOCC2.Cl.NCC(=O)C1=C(C2=C(S1)C=CC=C2)C>>CC=1C2=C(SC1C(CNC(=O)C=1SC3=C(N1)C(=CC=C3N3CCOCC3)OC)=O)C=CC=C2 | 5 |
COCCNC.FC=1C=C2C(C(NC2=CC1)=O)=C1OC(C2=CC(=CC=C12)C=O)(C)C>>FC=1C=C2C(C(NC2=CC1)=O)=C1OC(C2=CC(=CC=C12)CN(C)CCOC)(C)C | 5 |
C(C=C)(=O)OC(C=C)=O.C(#C)C=1C(=CC=C2C=CC=C(C12)C1=NC=C2C(=CC(=NC2=C1F)OC)N1[C@@H]2CCN[C@@H]2[C@@H]1C)F>ClCCl.C(C)(C)N(C(C)C)CC>C(#C)C=1C(=CC=C2C=CC=C(C12)C1=NC=C2C(=CC(=NC2=C1F)OC)N1[C@@H]2CCN([C@@H]2[C@@H]1C)C(C=C)=O)F | 3 |
ClS(=O)(=O)O.S1N=CC2=C1C=CC=C2>>S1N=CC2=C1C(=CC=C2)S(=O)(=O)Cl | 3 |
ClC1=CC=C(C=C1)S(=O)(=O)C(C1=CC=C(C=N1)CCC(=O)OC)C1=C(C=CC(=C1)F)F>C1CCCO1.[OH-].[Li+]>ClC1=CC=C(C=C1)S(=O)(=O)C(C1=CC=C(C=N1)CCC(=O)O)C1=C(C=CC(=C1)F)F | 3 |
COC=1C=C(C=CC1OC)/C(/C#N)=C/C=1SC(=CC1)N1CCCCC1>>Cl.COC=1C=C(C=CC1OC)/C(/C#N)=C/C=1SC(=CC1)N1CCCCC1 | 5 |
Cl.Cl.NC[CH:5]1[CH2:16][N:15]2[C:7]([C:8]3[NH:9][C:10]([CH:21]4[CH2:25][CH2:24][CH2:23][CH2:22]4)=[N:11][C:12]=3[N:13]([CH2:18][CH2:19][CH3:20])[C:14]2=[O:17])=[N:6]1.CO[CH:28]1[CH2:32][CH2:31][CH:30](OC)O1.[CH3:35][N:36](C)C=O>>[CH:21]1([C:10]2[NH:9][C:8]3[C:7]4=[N:6][CH:5]([CH2:30][C:31]5[NH:36][CH:35]=[CH:28][CH:32]... | 1 |
NC1=C(C=C(C=C1)F)CO>ClCCl.[O-2].[O-2].[Mn+4]>NC1=C(C=O)C=C(C=C1)F | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6](=O)[C:5]2=[O:12].[OH-].[K+].BrC[C:17](=O)[C:18]([OH:20])=[O:19].Cl>O>[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]=[CH:6][C:5]([OH:12])=[C:17]2[C:18]([OH:20])=[O:19] | 1 |
C(C)(C)(C)[Si](C)(C)Cl.CN(C)CC1=CC(=C(C(=O)OC)C=C1)S(N)(=O)=O>>[Si](C)(C)(C(C)(C)C)NS(=O)(=O)C1=C(C(=O)OC)C=CC(=C1)CN(C)C | 5 |
[Si:1]([O:8][C@H:9]1[CH2:18][C:17]([CH3:20])([CH3:19])[CH2:16][C:15]2[N:14]=[C:13]([CH:21]([CH3:23])[CH3:22])[C:12]([CH:24]=[O:25])=[C:11]([I:26])[C:10]1=2)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].I[C:28]1[CH:33]=[CH:32][C:31]([O:34][CH:35]([CH3:37])[CH3:36])=[CH:30][CH:29]=1.C(=O)([O-])[O-].[Cs+].[Cs+].[F-].[C... | 1 |
[Cl:1][C:2]1[CH:15]=[CH:14][C:5]([CH2:6][CH2:7][NH:8][C:9](=O)[O:10]CC)=[CH:4][C:3]=1[O:16][CH3:17].O=P12OP3(OP(OP(O3)(O1)=O)(=O)O2)=O>O=P(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:15]=[C:14]2[C:5]([CH2:6][CH2:7][NH:8][C:9]2=[O:10])=[CH:4][C:3]=1[O:16][CH3:17] | 1 |
O[O:2][S:3]([O-:5])=O.[K+].[CH3:7][CH:8]([N:10]1[C:14]2[N:15]=[C:16]([C:24]3[CH:29]=[CH:28][C:27](SC)=[CH:26][CH:25]=3)[CH:17]=[C:18]([C:19]([O:21][CH2:22][CH3:23])=[O:20])[C:13]=2[CH:12]=[N:11]1)[CH3:9].[CH3:32]C(C)=O>O>[CH3:7][CH:8]([N:10]1[C:14]2[N:15]=[C:16]([C:24]3[CH:25]=[CH:26][C:27]([S:3]([CH3:32])(=[O:5])=[O:2... | 1 |
[CH2:1]([O:5][C:6]1[N:11]=[CH:10][N:9]=[C:8]([C:12](=[O:19])[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH:7]=1)[C:2]#[C:3][CH3:4].[BH4-].[Na+].[Cl-].[NH4+]>C(O)C>[CH2:1]([O:5][C:6]1[N:11]=[CH:10][N:9]=[C:8]([CH:12]([OH:19])[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=2)[CH:7]=1)[C:2]#[C:3][CH3:4] | 1 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)C=1C2=CC=CC=C2N=C2CCCCC12>>C1CCCC2=NC3=CC=CC=C3C(=C12)C1=CC=C(C=C1)O | 5 |
FC=1C=NC2=CC=C(C=C2C1CCCC1(CCNCC1)C(=O)OCC)OC.ClCCSC1CCCCC1>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>C1(CCCCC1)CCN1CCC(CC1)(C(=O)OCC)CCCC1=C(C=NC2=CC=C(C=C12)OC)F | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:11]2[C:19]3[C:14](=[C:15]([N+:20]([O-:22])=[O:21])[CH:16]=[CH:17][CH:18]=3)[NH:13][N:12]=2)[C:9]#[N:10])=[CH:4][CH:3]=1.I[CH2:24][CH3:25].C([O-])(O)=O.[Na+]>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([C:11]2[C:19]3[C:14](=[C:15]([N+:20]([O-:22])=[O:21])[CH:16]=[CH:17][CH:18]=... | 2 |
BrC=1C=CC(=NC1)C.C(#C)N1C2=C(C=3C=C(C=CC13)C)CN(CC2)C>>CN1CC2=C(N(C=3C=CC(=CC23)C)C#CC=2C=NC(=CC2)C)CC1.FC(=C(C=1C=NC(=CC1)C)C=1C=NC(=CC1)C)N1C2=C(C=3C=C(C=CC13)C)CN(CC2)C | 5 |
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