smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrC=1C=CC(=C2C(=NN(C12)C)N(S(=O)(=O)C)S(=O)(=O)C)\C=C\C>ClCCl>BrC=1C=CC(=C2C(=NN(C12)C)N(S(=O)(=O)C)S(=O)(=O)C)C=O | 3 |
[CH2:1]1[N:6]2[C:7]3[CH:15]=[CH:14][CH:13]=[CH:12][C:8]=3[NH:9][CH2:10][CH2:11][CH:5]2[CH2:4][N:3](C(OC(C)(C)C)=O)[CH2:2]1.Cl>ClCCl>[CH2:1]1[N:6]2[C:7]3[CH:15]=[CH:14][CH:13]=[CH:12][C:8]=3[NH:9][CH2:10][CH2:11][CH:5]2[CH2:4][NH:3][CH2:2]1 | 1 |
S(=O)(=O)(OCC)OCC.C1(CC1)CN1[C@H]2[C@@]3(CCC([C@H]4[C@@]3(C=3C(=C(C=CC3C2)OCC2=CC=CC=C2)O4)CC1)(OC)OC)O>N(C)(C)C=O.[H-].[Na+]>C1(CC1)CN1[C@H]2[C@@]3(CCC([C@H]4[C@@]3(C=3C(=C(C=CC3C2)OCC2=CC=CC=C2)O4)CC1)(OC)OC)OCC | 3 |
[CH3:1][O:2][C:3](=[O:22])[C:4]1[CH:9]=[C:8]([S:10][C:11]2[C:19]3[C:14](=[CH:15][C:16]([Cl:20])=[CH:17][CH:18]=3)[NH:13][C:12]=2[CH3:21])[CH:7]=[N:6][CH:5]=1.Br[C:24]1[CH:25]=[N:26][N:27]([CH3:29])[CH:28]=1.C(=O)([O-])[O-].[K+].[K+]>N1C=CC=CC=1.CCOC(C)=O.[Cu]=O>[CH3:1][O:2][C:3](=[O:22])[C:4]1[CH:9]=[C:8]([S:10][C:11]2... | 1 |
C(OC([NH:8][CH2:9][C:10]1[CH:11]=[C:12]([C:16]2[N:21]=[C:20]([C:22]([NH:24][C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=3[CH2:31][C:32]([O:34]C(C)(C)C)=[O:33])=O)[CH:19]=[C:18](Cl)[CH:17]=2)[CH:13]=[CH:14][CH:15]=1)=O)(C)(C)C.[OH-:40].[K+].[O-:42]P([O-])([O-])=O.[K+].[K+].[K+]>CC([O-])=O.CC([O-])=O.[Pd+2].C1(C)C=CC=CC=1... | 2 |
C(CO)O.COC(C(C(=O)C)CC)=O>C1(=CC=CC=C1)C.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C)OC(C(CC)C1(OCCO1)C)=O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[NH:9][C:10]3[N:11]([N:15]=[C:16]([O:20]C)[C:17]=3[C:18]#[N:19])[C:12](=[O:14])[CH:13]=2)=[CH:4][CH:3]=1.Br.CC(O)=O>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[NH:9][C:10]3[N:11]([N:15]=[C:16]([OH:20])[C:17]=3[C:18]#[N:19])[C:12](=[O:14])[CH:13]=2)=[CH:4][CH:3]=1 | 2 |
[SH:1][C:2]1[CH:35]=[CH:34][CH:33]=[CH:32][C:3]=1[C:4]([NH:6][C@@H:7]1[C:18]2[C:12](=[CH:13][CH:14]=[C:15]([S:20][CH3:21])[C:16](=[O:19])[CH:17]=2)[C:11]2[C:22]([O:30][CH3:31])=[C:23]([O:28][CH3:29])[C:24]([O:26][CH3:27])=[CH:25][C:10]=2[CH2:9][CH2:8]1)=[O:5].Cl.[N:37]([O-])=[O:38].[Na+].C(=O)([O-])O.[Na+]>CO.O>[N:37](... | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:8][C:9]2[C:14]([C:15]([NH2:17])=[O:16])=[CH:13][N:12]=[C:11](SC)[N:10]=2)[CH:5]=[CH:6][CH:7]=1.C1C=C(Cl)C=C(C(OO)=O)C=1.CCN(C(C)C)C(C)C.[NH2:40][C@@H:41]1[CH2:46][CH2:45][O:44][CH2:43][C@@H:42]1[NH:47][C:48](=[O:54])[O:49][C:50]([CH3:53])([CH3:52])[CH3:51]>CN1C(=O)CCC1.CCOC(C)=O>[C:15]([C:1... | 2 |
C1COCCN1.ClC1=C(C=C(C(=C1)Cl)OC)NC1=C2C(=NC=C1C#N)C=C(S2)C2=CC=C(C=C2)C=O>>ClC1=C(C=C(C(=C1)Cl)OC)NC1=C2C(=NC=C1C#N)C=C(S2)C2=CC=C(C=C2)CN2CCOCC2 | 5 |
[C:1]1([S:7][C:8]2[CH:13]=[CH:12][C:11]([OH:14])=[CH:10][CH:9]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH2:15]([O:17][CH:18]([O:21][CH2:22][CH3:23])[CH2:19]Br)[CH3:16].C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.O>[CH2:15]([O:17][CH:18]([O:21][CH2:22][CH3:23])[CH2:19][O:14][C:11]1[CH:12]=[CH:13][C:8]([S:7][C:1]2[CH:2]=[CH:3][CH:4... | 1 |
NO.C(C)(=O)N1CC2=C(CC1)N=C(N2C(=O)OC(C)(C)C)N2CC1=CC=CC(=C1C2)C(=O)OCC>C1CCCO1.CO[H].Cl.[OH-].[Na+]>Cl.C(C)(=O)N1CC2=C(CC1)N=C(N2)N2CC=1C=CC=C(C1C2)C(=O)NO | 3 |
[C:1]([Mg]Br)#[C:2][CH3:3].C1COCC1.[N:11]12[CH2:18][CH2:17][CH:14]([CH2:15][CH2:16]1)[CH:13]([NH:19][C:20]([C:22]1[CH:23]=[CH:24][CH:25]=[C:26]3[O:30][C:29]([C:31]4[CH:36]=[CH:35][C:34](I)=[CH:33][CH:32]=4)=[N:28][C:27]=13)=[O:21])[CH2:12]2>CN(C=O)C.[Cl-].[Zn+2].[Cl-].Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1... | 1 |
CSC=1C=CC(=NC1)Br.C[C@]12CC[C@@]3([C@@H]([C@H]2CC[C@@H]2[C@]4(CC=C(C([C@@H]4CC[C@@]12C)(C)C)C1=CC=C(C(=O)O)C=C1)C)[C@@H](CC3)C(=C)C)NCCNC=3N=NC(=CC3)C>C(=O)(C(F)(F)F)O>C[C@]12CC[C@@]3([C@@H]([C@H]2CC[C@@H]2[C@]4(CC=C(C([C@@H]4CC[C@@]12C)(C)C)C1=CC=C(C(=O)O)C=C1)C)[C@@H](CC3)C(=C)C)NCCNC3=NC=C(C=C3)SC | 3 |
Cl.[C@@H:2]12[NH:9][C@@H:6]([CH2:7][CH2:8]1)[CH2:5][N:4]([C:10]1[CH:15]=[CH:14][N:13]=[C:12]([NH:16][C:17]3[CH:18]=[N:19][N:20]([CH3:22])[CH:21]=3)[N:11]=1)[CH2:3]2.[C:23]([C:25]1[CH:30]=[CH:29][N:28]=[C:27](Cl)[CH:26]=1)#[N:24].C(N(CC)CC)C>CC(O)C>[CH3:22][N:20]1[CH:21]=[C:17]([NH:16][C:12]2[N:11]=[C:10]([N:4]3[CH2:5][... | 2 |
C(C)(C)(C)OC(=O)N1C(CCC1)C=1N(C=C(N1)C(=O)N1CCC2(CC1)CCN(CC2)C(=O)C=2N=CN(C2)COCC[Si](C)(C)C)COCC[Si](C)(C)C>C(=O)(C(F)(F)F)O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>COC(NC(C(C)C)C(=O)N1C(CCC1)C=1NC=C(N1)C(=O)N1CCC2(CC1)CCN(CC2)C(=O)C=2N=C(NC2)C2N(CCC2)C(C(C(C)C)NC(=O)OC)=O)=O | 3 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6](O)([C:12]3[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=3)[C:7](=[O:11])[NH:8]2)=[CH:4][CH:3]=1.C([SiH](CC)CC)C.FC(F)(F)C(O)=O.C(=O)([O-])[O-].[Na+].[Na+]>C(OCC)(=O)C>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([CH:6]([C:12]3[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=3)[C:7](=[O:11])[NH:8]2)=[CH:4][CH:3]=1 | 1 |
C(C)(C)(C)OC(=O)N1C[C@@H](N([C@@H](C1)C)C(C)=O)C>>Cl.C[C@H]1N([C@H](CNC1)C)C(C)=O | 5 |
Cl.Cl.C[NH:4][C:5]1[CH:10]=[C:9]([NH2:11])[CH:8]=[CH:7][C:6]=1C.[CH:13]1C(N)=CC=C(N)C=1.C([O-])(=O)C.[NH4+].[OH-].[NH4+].OO>C(O)C>[C:5]1([NH2:4])([CH3:13])[CH:6]=[CH:7][CH:8]=[C:9]([NH2:11])[CH2:10]1 | 1 |
CC1=NC=CC(=C1)C1=NN(C2=CC=C(C=C12)C(=O)O)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(C1=CC=CC=C1)NC1(CC(CCC1)N)CC1=C(C=CC=C1)F>Cl.C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C1=CC=CC=C1)NC1(CC(CCC1)NC(=O)C=1C=C2C(=NN(C2=CC1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=NC=C1)C)... | 3 |
C(C=C)Br.CC1=C(C(=O)O)C(=CC(=C1)C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CC1=C(C(=O)OCC=C)C(=CC(=C1)C)C | 3 |
BrC1=C(NC(=C1Cl)C)C(=O)N[C@H]1[C@H](CN(CC1)C(=O)OCC)OC>CCO[H].[OH-].[Na+]>Cl.BrC1=C(NC(=C1Cl)C)C(=O)N[C@H]1[C@H](CNCC1)OC | 3 |
BrC1=CC=C(C=O)C=C1.Cl.C1(CCCC1)N1C[C@H](CC1)N>>BrC1=CC=C(CN[C@@H]2CN(CC2)C2CCCC2)C=C1 | 5 |
[CH3:1][O:2][C:3]1[CH:15]=[CH:14][C:6]2[N:7]=[C:8]([NH:10][C:11]([NH2:13])=[NH:12])[S:9][C:5]=2[CH:4]=1.[H-].[Na+].[CH2:18]([N:20]([CH2:33][CH3:34])[CH2:21][CH2:22][O:23][C:24]1[CH:29]=[CH:28][C:27]([N:30]=[C:31]=S)=[CH:26][CH:25]=1)[CH3:19].CI>CN(C)C=O.O>[NH2:12][C:11]1[N:10]=[C:8]2[N:7]([C:31](=[N:30][C:27]3[CH:26]=[... | 1 |
C1(=CC=CC=C1)N(C(=O)C=1N(N=C2C=CC=CC12)COCC[Si](C)(C)C)C1=CC=CC=C1>>C1(=CC=CC=C1)N(C(=O)C1=NNC2=CC=CC=C12)C1=CC=CC=C1 | 5 |
C1N2CN3CN1CN(C2)C3.Cl.NCC1=C(C=C(C=C1)C(C)(C)C)O>O.Cl.C(C)(=O)O.O>C(C)(C)(C)C=1C=C(C(C=O)=CC1)O | 3 |
[CH3:1][O:2][C:3]1[CH:48]=[C:47]([O:49][CH3:50])[CH:46]=[CH:45][C:4]=1[CH2:5][N:6]([C:39]1[CH:44]=[CH:43][N:42]=[CH:41][N:40]=1)[S:7]([C:10]1[CH:15]=[C:14]([CH3:16])[C:13]([O:17][C@H:18]2[CH2:23][CH2:22][CH2:21][CH2:20][C@@H:19]2[C:24]2[C:25]([N+:35]([O-])=O)=[N:26][N:27]([CH:29]3[CH2:34][CH2:33][CH2:32][CH2:31][O:30]3... | 1 |
C1(CC1)C1=NC=NC(=C1C=1N=CC2=C(N1)NC(C=C2)=O)OC.ClCC1=CC(=C(C(=C1)OC)C=1N(C=C(N1)C(F)(F)F)C(C)C)F>N(C)(C)C=O.CN(C(N(C)C)=N)C>C1(CC1)C1=NC=NC(=C1C=1N=CC2=C(N1)N(C(C=C2)=O)CC2=CC(=C(C(=C2)OC)C=2N(C=C(N2)C(F)(F)F)C(C)C)F)OC | 3 |
[C:1]([C:3]1[CH:4]=[CH:5][C:6]2[O:10][C:9]([C:11]([OH:13])=[O:12])=[CH:8][C:7]=2[CH:14]=1)#[N:2].[ClH:15].[CH2:16]([NH2:23])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[CH2:24](O)[CH3:25]>>[ClH:15].[CH2:16]([NH:23][C:1]([C:3]1[CH:4]=[CH:5][C:6]2[O:10][C:9]([C:11]([O:13][CH2:24][CH3:25])=[O:12])=[CH:8][C:7]=2[CH:14]=... | 1 |
[C:1]([O:4][C@H:5]([C@H:9]1[O:14][CH2:13][CH2:12][N:11]([C:15]2[CH:20]=[C:19]([C:21]([F:24])([F:23])[F:22])[CH:18]=[C:17]([C:25]([F:28])([F:27])[F:26])[CH:16]=2)[C:10]1=[O:29])[C:6](O)=[O:7])(=[O:3])[CH3:2].[NH2:30][C:31]1[CH:32]=[C:33]2[C:37](=[CH:38][CH:39]=1)[C:36](=[O:40])[NH:35][CH2:34]2>>[C:1]([O:4][C@H:5]([C@H:9... | 1 |
[CH2:1]([C:8]([NH:12][C:13](=[O:19])[O:14][C:15]([CH3:18])([CH3:17])[CH3:16])([CH3:11])[CH2:9][OH:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Br[CH2:21][C:22]1[CH:27]=[C:26]([Cl:28])[N:25]=[C:24]([N:29]([CH2:34][CH2:35][CH3:36])[S:30]([CH3:33])(=[O:32])=[O:31])[CH:23]=1.C(C1C=CC=C(C(C)(C)C)N=1)(C)(C)C>ClCCl.[O-]S(C(F)... | 1 |
[CH:1]1([C:4]2[N:31]=[C:7]3[NH:8][C:9](=[O:30])[C:10]([CH2:15][C:16]4[CH:21]=[CH:20][C:19]([C:22]5[C:23]([C:28]#[N:29])=[CH:24][CH:25]=[CH:26][CH:27]=5)=[CH:18][CH:17]=4)=[C:11]([CH2:12][CH2:13][CH3:14])[N:6]3[N:5]=2)[CH2:3][CH2:2]1.Br[CH2:33][C:34]1[CH:39]=[CH:38][C:37]([F:40])=[CH:36][CH:35]=1.C(=O)([O-])[O-].[K+].[K... | 1 |
O1CCCC1.[OH-].[Li+].C([O:10][C:11]([C:13]1[NH:14][C:15]2[C:20]([CH:21]=1)=[CH:19][C:18]([F:22])=[CH:17][C:16]=2[Br:23])=[O:12])C>O>[Br:23][C:16]1[CH:17]=[C:18]([F:22])[CH:19]=[C:20]2[C:15]=1[NH:14][C:13]([C:11]([OH:12])=[O:10])=[CH:21]2 | 1 |
OC1(CCC(CC1)=O)CCC1=NC=NC2=CC=C(C=C12)OC>CO[H].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(C)(=O)[O-].[NH4+]>NC1CCC(CC1)(O)CCC1=NC=NC2=CC=C(C=C12)OC | 3 |
C1(=CC=CC=C1)C=O.BrC=1C(=C(C=C(C1)C)C(CC)=O)O>CCO[H].C(C)(=O)O.N1CCCCC1>BrC=1C(=C(C=C(C1)C)C(\C(=C\C1=CC=CC=C1)\C)=O)O | 3 |
[C:1](Cl)(=O)C.[CH:5]1[C:10]([CH2:11][C@H:12]([NH2:16])[C:13]([OH:15])=[O:14])=[CH:9][C:8]([OH:17])=[C:7]([OH:18])[CH:6]=1>CO>[CH3:1][O:14][C:13]([C@@H:12]([NH2:16])[CH2:11][C:10]1[CH:5]=[CH:6][C:7]([OH:18])=[C:8]([OH:17])[CH:9]=1)=[O:15] | 1 |
FC1=CC=C(C=C1)B(O)O.ClC1=NC=CC(=C1)Cl>>ClC1=CC(=NC=C1)C1=CC=C(C=C1)F | 5 |
[C:1]1([C:7]2[C:11]([C:12](=[O:21])[C:13]3[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][C:14]=3[NH2:20])=[C:10]([C:22](OCC)=[O:23])[NH:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.OC1C=CC=CN=1>C1(C)C=CC=CC=1>[Cl:19][C:16]1[CH:17]=[CH:18][C:13]2[C:12](=[O:21])[C:11]3[C:7]([C:1]4[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=4)=[N:8][NH:9][C... | 1 |
CN1C2=CC=CC=C2C=2C=CC=CC12>O.[N+](=O)(O)[O-].C(C)(=O)O>CN1C2=CC=CC=C2C=2C=C(C=CC12)[N+](=O)[O-] | 3 |
C([O:3][C:4](=[O:55])[C:5]1[CH:10]=[C:9]([CH2:11][CH2:12][C:13]2[S:22][C:21]3[N:20]4[C:23]([CH3:26])=[N:24][N:25]=[C:19]4[CH2:18][N:17]=[C:16]([C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=4[Cl:33])[C:15]=3[CH:14]=2)[CH:8]=[CH:7][C:6]=1[CH2:34][C:35]([NH:37][C:38]1[CH:43]=[CH:42][CH:41]=[C:40](/[CH:44]=[CH:45]/[C:46]2[S:... | 1 |
C(C=C)(=O)OC(C)(C)C.C=1(C(=CC=CC1)S(=O)(=O)N=C=O)C>C1CCCO1.[H-].[Na+]>C(C)(C)(C)OC(=O)C1=CNC=C1 | 3 |
[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([F:16])[C:11]=2[F:17])=[C:6]([F:18])[C:5]=1[F:19])[CH3:2].C([Li])(CC)C.[O:25]1[C:29]2([CH2:34][CH2:33][C:32](=O)[CH2:31][CH2:30]2)[O:28][CH2:27][CH2:26]1.Cl>C(OCC)(=O)C.C1COCC1>[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][C:13]([... | 1 |
[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8]#[C:9][CH2:10][C:11]([CH3:22])=[CH:12][CH2:13][CH:14]=[C:15]([CH3:21])[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[H][H]>S([O-])([O-])(=O)=O.[Ba+2].[Pd+2].S([O-])([O-])(=O)=O.N1C=CC=CC=1>[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH:8]=[CH:9][CH2:10][C:11]([CH3:22... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]([CH2:21][CH2:22][OH:23])[CH2:10][C:11]([NH:13][C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)=[O:12])[CH:5]=[CH:6][C:7]=1[Cl:8].CCN(CC)CC.[CH3:31][S:32](Cl)(=[O:34])=[O:33]>C(Cl)Cl>[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]([CH2:21][CH2:22][O:23][S:32]([CH3:31])(=[O:34])=[O:33])[CH2:10][C:1... | 1 |
[Cl:1][C:2]1[CH:7]=[C:6](I)[CH:5]=[C:4]([Cl:9])[N:3]=1.[CH3:10][S:11][C:12]1[CH:13]=[C:14]([CH:16]=[CH:17][CH:18]=1)[NH2:15].C1(P(C2C=CC=CC=2)CCCP(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.ClCCl.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/... | 1 |
[NH2:1][CH2:2][C@@H:3]1[C@H:8]([CH3:9])[CH2:7][CH2:6][CH2:5][N:4]1[C:10]([C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([F:18])[C:13]=1[N:19]1[N:23]=[CH:22][CH:21]=[N:20]1)=[O:11].F[C:25]1[CH:30]=[CH:29][C:28]([C:31]([F:34])([F:33])[F:32])=[CH:27][N:26]=1>>[F:18][C:14]1[C:13]([N:19]2[N:23]=[CH:22][CH:21]=[N:20]2)=[C:12]([C:10]([... | 1 |
[N+](=O)([O-])C.CC=1N=C(SC1)C=O>CCO[H].C([O-])([O-])=O.[K+].[K+]>CC=1N=C(SC1)C(C[N+](=O)[O-])O | 3 |
COC=1C=C2C(=CC=NC2=CC1OC)SC=1SC(=CC1)[N+](=O)[O-]>>COC=1C=C2C(=CC=NC2=CC1OC)SC1=CC=C(S1)N | 5 |
FC1C=NC2C(N=1)=C([C:12]1[NH:20][C:19]3[CH2:18][CH2:17][NH:16][C:15](=[O:21])[C:14]=3[CH:13]=1)C=CC=2.Cl.CC1(N)CC1.CCN(C(C)C)C(C)C>>[NH:20]1[C:19]2[CH2:18][CH2:17][NH:16][C:15](=[O:21])[C:14]=2[CH:13]=[CH:12]1 | 1 |
BrC1=CC=C(C=C1)C1(COC1)NS(=O)C(C)(C)C>C1CCCO1.[H-].[Na+]>BrC1=CC=C(C=C1)C1(COC1)N(S(=O)C(C)(C)C)COCC[Si](C)(C)C | 3 |
C(C)I.COC=1C=CC=C2C(=CC(=CC12)C(=O)OCC)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)OC1=CC(=CC2=C(C=CC=C12)OC)C(=O)OCC | 3 |
Br[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([N+:11]([O-:13])=[O:12])[CH:3]=1.[F:14][C:15]([F:27])([F:26])[C:16]1[CH:21]=[CH:20][C:19](OB(O)O)=[CH:18][CH:17]=1>>[F:14][C:15]([F:27])([F:26])[C:16]1[CH:21]=[CH:20][C:19]([C:2]2[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([N+:11]([O-:13])=[O:12])[CH:3]=2)=[CH:1... | 2 |
BrCCCBr.NC1CC2=CC(=C(C=C2C1CC1=CC=CC=C1)OCCNS(=O)(=O)C=1N=CN(C1)C)F>CC#N.O.ClCCl.C([O-])([O-])=O.[K+].[K+]>N1(CCC1)[C@@H]1CC2=CC(=C(C=C2[C@@H]1CC1=CC=CC=C1)OCCNS(=O)(=O)C=1N=CN(C1)C)F | 3 |
CC=1C=NC=C(C1)B(O)O.N1C=C(C2=CC=CC=C12)CCNC=1C2=C(N=C(N1)Cl)C=CO2>O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N1C=C(C2=CC=CC=C12)CCNC=1C2=C(N=C(N1)C=1C=NC=C(C1)C)C=CO2 | 3 |
[H-].[Na+].[O:3]=[C:4]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[N:8]2[CH:15]=[N:16][C:17]([C:18]([O:20][CH2:21][CH3:22])=[O:19])=[C:7]2[CH2:6][NH:5]1.[CH3:23]I.O>CN(C)C=O.C(O)(=O)C>[CH3:23][N:5]1[C:4](=[O:3])[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[N:8]2[CH:15]=[N:16][C:17]([C:18]([O:20][CH2:21][CH3:22])=[O:19]... | 1 |
C(C=1C(O)=CC=CC1)=O>>C(C=1C(O)=CC=CC1)=NC=CN=CC=1C(O)=CC=CC1 | 5 |
C[Si](C)(C)C#C.NC1=C(C(=O)O)C=C(C=C1)I>[Cu]I.C1=CC=CC(=C1CBr)CBr.CCN(CC)CC>NC1=C(C(=O)O)C=C(C=C1)C#C[Si](C)(C)C | 3 |
CC1(C)C(C)(C)OB(B2OC(C)(C)C(C)(C)O2)O1.Br[C:20]1[CH:21]=[N:22][CH:23]=[C:24]([C:27]#[C:28][CH3:29])[C:25]=1[CH3:26].C([O-])(=O)C.[K+].CC1C(B2OC(C)(C)C(C)(C)O2)=CN=CC=1C#CC.CC([PH+](C(C)(C)C)CCCS([O-])(=O)=O)(C)C.Br[C:71]1[CH:92]=[C:91]2[C:74]([CH2:75][C:76]3([C:84]42[N:88]=[C:87]([NH2:89])[C:86]([CH3:90])=[N:85]4)[CH2:... | 1 |
C([C:3](=[C:7]([OH:11])[C:8]([O-:10])=[O:9])[C:4]([O-])=[O:5])#N.C(C(=C(O)C(OCC)=O)C(OCC)=O)#[N:13].[OH-].[Na+].Cl>>[NH2:13][C:4](=[O:5])[CH2:3][C:7](=[O:11])[C:8]([OH:10])=[O:9] | 2 |
CN1N=CC(=C1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C.ClC1=CN=CC2=CC=C(C=C12)N(S(=O)(=O)C)CCOC>>COCCN(S(=O)(=O)C)C=1C=C2C(=CN=CC2=CC1)C1=CC=C(C=C1)C=1C=NN(C1)C | 5 |
NC1=NC=C(C(=O)N)C=C1>O.C(=O)(C(F)(F)F)O.[OH-].[Na+].[N+](=O)([O-])[O-].[K+]>NC1=NC=C(C(=O)N)C=C1[N+](=O)[O-] | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.NCC1=CC=C(C=C1)CC(=O)O>>C(C)(C)(C)OC(=O)NCC1=CC=C(C=C1)CC(=O)O | 5 |
COCOC1=CC=C2C=CC(=NC2=C1[N+](=O)[O-])C=O>>COCOC1=CC=C2C=CC(=NC2=C1[N+](=O)[O-])CO | 5 |
ClC1=NC=C(C=C1)OCOC>>ClC1=NC=C(C(=C1)I)OCOC | 5 |
[OH:1][C@@H:2]([C@H:4]1[C:53](=[O:54])[N:6]2[C:7]([C:40]([O:42]CC3C=CC([N+]([O-])=O)=CC=3)=[O:41])=[C:8]([C:11]3[S:15][C:14]4=[C:16]([C:19]([C:21]5[CH:22]=[N:23][CH:24]=[C:25]([C:27]([O:29]CC6C=CC([N+]([O-])=O)=CC=6)=[O:28])[CH:26]=5)=[O:20])[N:17]=[CH:18][N:13]4[CH:12]=3)[C@H:9]([CH3:10])[C@H:5]12)[CH3:3].[N:55]([CH2:... | 1 |
[CH:1](=[C:8]1[CH2:13][CH2:12][N:11]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:10][CH:9]1[CH3:21])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>CO.[Pd]>[CH2:1]([CH:8]1[CH2:13][CH2:12][N:11]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:10][CH:9]1[CH3:21])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:... | 2 |
C(CCCCCC)SC1=CC(=C(C(=O)O)C=C1)C>O.CC(=O)C.S(=O)(=O)(O[O-])[O-].[K+].[K+].[O-]S(=O)[O-].[Na+].[Na+]>C(CCCCCC)S(=O)(=O)C1=CC(=C(C(=O)O)C=C1)C | 3 |
[O-:1][Sn:2]([O-:4])=[O:3].[Cd+2:5].[Cr:6].[O-2:7].[Cr+3].[O-2].[O-2].[Cr+3]>>[Cr:6].[O-2:1].[Cr+3:6].[O-2:7].[O-2:1].[Cr+3:6].[O-:3][Sn:2]([O-:4])=[O:1].[Cd+2:5] | 1 |
CS[C:3]([NH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=[C:4]([C:7]#[N:8])[C:5]#[N:6].[NH2:16][NH2:17]>CCO>[NH2:6][C:5]1[NH:17][N:16]=[C:3]([NH:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[C:4]=1[C:7]#[N:8] | 1 |
C[Si](C1=CC=CC=C1)(C)Cl.C(C1=CC=CC=C1)OC=1C=C(COC2=CC(=CC3=C2C=C(O3)C(C)=O)O)C=CC1>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)OC=1C=C(COC2=CC(=CC3=C2C=C(O3)C(C)=O)O[Si](C)(C)C(C)(C)C)C=CC1 | 3 |
C(C(CCCC)COC(=O)CC[S:9][C:10]1[CH:19]=[C:18]2[C:13]([C:14]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:15][C:16]3[N:17]2[CH:20]=[N:21][N:22]=3)=[CH:12][CH:11]=1)C.N#N.CC(C)([O-])C.[K+].Br[CH2:43][CH2:44][CH2:45][C:46]([O:48][CH2:49][CH3:50])=[O:47]>CN(C=O)C.CCOC(C)=O.O>[CH2:49]([O:48][C:46](=[O:47])[CH2:45][CH2... | 1 |
C(=S)(Cl)Cl.CNC1=C(C=CC=C1)N.C1(CCCCC1)C1=CC=C(C=C1)NC1CCC2=CC(=CC=C12)C(=O)OCCCC>ClCCl.C(C)(C)N(C(C)C)CC>C1(CCCCC1)C1=CC=C(C=C1)N(C1CCC2=CC(=CC=C12)C(=O)OCCCC)C1=NC2=C(N1C)C=CC=C2 | 3 |
Cl.[CH3:2][C:3]1[C:11]2[CH2:10][O:9][C:8](=[O:12])[C:7]=2[CH:6]=[CH:5][C:4]=1[CH2:13][CH2:14][N:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1.[CH3:21][O:22][C:23]1[CH:30]=[C:29]([CH:31]([CH3:34])[CH:32]=O)[CH:28]=[CH:27][C:24]=1[C:25]#[N:26]>>[CH3:21][O:22][C:23]1[CH:30]=[C:29]([CH:31]([CH3:34])[CH2:32][N:18]2[CH2:19][C... | 1 |
BrC=1C=NC=C(C1C=O)Cl>>BrC=1C=NC=C(C1CO)Cl | 5 |
BrC=1C(=NC(=C(C1)[N+](=O)[O-])C)O>>BrC=1C(=NC(=C(C1)[N+](=O)[O-])C)Cl | 5 |
[CH:1]1([C:7]([CH2:24][O:25][CH3:26])([CH2:10][O:11][CH:12]2[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]2)[CH2:8][OH:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[H-].[Na+].CI.[CH3:31]CCCCC.C(OCC)(=O)C>C1COCC1>[CH:1]1([C:7]([CH2:10][O:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH... | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:14][CH2:13][CH2:12][NH:11][CH2:10][CH2:9]2)=[CH:4][C:3]=1[C:15]1[NH:19][C:18]2[CH:20]=[CH:21][CH:22]=[CH:23][C:17]=2[N:16]=1.C1C=CC2N(O)N=NC=2C=1.CN1CCOCC1.[C:41]([O:45][C:46]([N:48]1[CH2:53][CH2:52][CH2:51][CH:50]([C:54](O)=[O:55])[CH2:49]1)=[O:47])([CH3:44])([CH3:43])[CH3:42]... | 1 |
[Cl:1][C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:10]=[C:11]([CH2:15][CH2:16][C:17]3[CH:22]=[C:21]([NH:23]C(=O)OC(C)(C)C)[CH:20]=[CH:19][N:18]=3)[CH:12]=[CH:13][CH:14]=2)[C:5]([F:31])=[CH:4][N:3]=1.[ClH:32]>O1CCOCC1>[ClH:1].[ClH:32].[NH2:23][C:21]1[CH:20]=[CH:19][N:18]=[C:17]([CH2:16][CH2:15][C:11]2[CH:10]=[C:9]([NH:8][C:6]3[C:5... | 1 |
C([O:8][C:9]1[CH:10]=[CH:11][C:12]2[C:13]3[S:22][C:21]([CH2:23][CH2:24][CH3:25])=[N:20][C:14]=3[C:15]([NH2:19])=[N:16][C:17]=2[CH:18]=1)C1C=CC=CC=1.Br.[OH-].[Na+]>C(O)(=O)C>[OH:8][C:9]1[CH:10]=[CH:11][C:12]2[C:13]3[S:22][C:21]([CH2:23][CH2:24][CH3:25])=[N:20][C:14]=3[C:15]([NH2:19])=[N:16][C:17]=2[CH:18]=1 | 1 |
S1CCC(CC1)=O.ClC=1C=CC(=C(C(=O)NC2=NC=C(C=C2)C)C1)NCC1CCNCC1>>ClC=1C=CC(=C(C(=O)NC2=NC=C(C=C2)C)C1)NCC1CCN(CC1)C1CCSCC1 | 5 |
Cl.[CH3:2][O:3][C:4]1[CH:5]=[C:6]([C:10]2[CH2:11][NH:12][CH2:13][CH2:14][CH:15]=2)[CH:7]=[CH:8][CH:9]=1.C(=O)([O-])[O-].[Na+].[Na+].[CH2:22](Br)[CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>CC(C)=O>[CH3:2][O:3][C:4]1[CH:5]=[C:6]([C:10]2[CH2:11][N:12]([CH2:22][CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]... | 1 |
BrC=1C=C(C(=O)OC)C=C(C1)C#C[Si](C)(C)C>C1CCCO1.C(C)(=O)O.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>BrC=1C=C(C(=O)OC)C=C(C1)C#C | 3 |
[N:1]1[CH:2]=[C:3]([C:10]2[CH:15]=[CH:14][N:13]=[C:12]([NH2:16])[N:11]=2)[N:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12.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.C(=O)([O-])[O-].[Cs+].[Cs+].I[C:66]1[CH:71]=[CH:70][C:69]([C:72]([N:74]2[CH2:79][CH2:78][O:77][CH2:76][CH2:75]2)=[O:73]... | 1 |
[H-].[Na+].[I:3][C:4]1[CH:9]=[CH:8][N:7]=[C:6]2[CH:10]=[N:11][NH:12][C:5]=12.Br[CH:14]1[CH2:19][CH2:18][N:17]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:16][CH2:15]1>CN(C=O)C>[I:3][C:4]1[C:5]2[C:6](=[CH:10][N:11]([CH:14]3[CH2:19][CH2:18][N:17]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[C... | 1 |
BrC1=NC(=CC(=C1)[C@@H]1CN(C[C@H](O1)COC)C(=O)OC(C)(C)C)Cl>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>ClC1=NC(=CC(=C1)[C@@H]1CN(C[C@H](O1)COC)C(=O)OC(C)(C)C)... | 3 |
C(N(C(C)C)CC)(C)C.[NH2:10][C:11]1[CH:19]=[CH:18][CH:17]=[C:16]([Cl:20])[C:12]=1[C:13]([OH:15])=[O:14].[C:21]1([C:31](Cl)=O)[C:30]2[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=2)[CH:24]=[CH:23][CH:22]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[Cl:20][C:16]1[C:12]2[C:13](=[O:15])[O:14][C:31]([C:21]3[C:30]4[C:25]... | 2 |
[Br:1][C:2]1[CH:13]=[C:6]2[C:7]([O:9]C(=O)[NH:11][C:5]2=[CH:4][CH:3]=1)=O.[NH2:14][CH2:15][C:16]([NH:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17]>C(#N)C>[NH2:11][C:5]1[CH:4]=[CH:3][C:2]([Br:1])=[CH:13][C:6]=1[C:7]([NH:14][CH2:15][C:16](=[O:17])[NH:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:9] | 1 |
Cl.[OH:2][CH2:3][C:4]1[CH:5]=[C:6]([OH:11])[C:7]([CH3:10])=[N:8][CH:9]=1.[H-].[Na+].[CH2:14](Cl)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>CN(C)C=O>[CH2:14]([O:11][C:6]1[C:7]([CH3:10])=[N:8][CH:9]=[C:4]([CH2:3][OH:2])[CH:5]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
C(C)C1=C(C(=CC=C1)CC)NC(=O)C1=NN(C2=C1CCCC=1C2=NC(=NC1)NC1=C(C=C(C=C1)N1CCN(CC1)C)OC)CCOC1OCCCC1>CO[H].Cl.O1CCOCC1>Cl.C(C)C1=C(C(=CC=C1)CC)NC(=O)C1=NN(C2=C1CCCC=1C2=NC(=NC1)NC1=C(C=C(C=C1)N1CCN(CC1)C)OC)CCO | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C@@H:10]2[O:12][C@H:11]2[CH2:13][OH:14])=[CH:6][CH:5]=1)([O-:3])=[O:2].[C:15]([NH:18][C:19]1[CH:24]=[CH:23][C:22]([OH:25])=[CH:21][CH:20]=1)(=[O:17])[CH3:16].CO.[OH-].[Na+]>O>[C:15]([NH:18][C:19]1[CH:24]=[CH:23][C:22]([O:25][C@H:10]([C:7]2[CH:8]=[CH:9][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][... | 2 |
[Mg].Br[CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.II.[N:13]1[CH:14]=[C:15]([CH:25]=[O:26])[N:16]2[C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=3[S:18][C:17]=12>C1COCC1>[C:5]1([CH2:4][CH2:3][CH:25]([C:15]2[N:16]3[C:17]([S:18][C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=43)=[N:13][CH:14]=2)[OH:26])[CH:10]=[CH:9... | 1 |
[CH2:1]([N:3]1[CH:7]=[C:6]([NH:8][C:9]2[N:14]=[CH:13][N:12]=[C:11]([C:15]3[CH:16]=[CH:17][C:18]([O:23][C@H:24]4[CH2:29][CH2:28][NH:27][CH2:26][C@H:25]4[F:30])=[C:19]([CH:22]=3)[C:20]#[N:21])[N:10]=2)[C:5]([CH3:31])=[N:4]1)[CH3:2].[C:32](O)(=[O:36])[C@H:33]([CH3:35])[OH:34].C(N(CC)C(C)C)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+... | 2 |
C(C1=CC=CC=C1)N1C[C@@H](CC1)NC=1N=CC(=NC1)/C=C/C(=O)NO>CCO[H].O.C1(=CC=C(C=C1)S(=O)(=O)O)C>CC1=CC=C(C=C1)S(=O)(=O)O.C(C1=CC=CC=C1)N1C[C@@H](CC1)NC=1N=CC(=NC1)/C=C/C(=O)NO | 3 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC1CC1.N[C@H](C(=O)OC)CC1C(NC(CC1)(C)C)=O>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>C(C)(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)CC1C(NC(CC1)(C)C)=O)CC1CC1 | 3 |
C(C=C)[C@@]1(CCN(C(O1)=O)[C@@H](CC)C1=CC=C(C=C1)Br)C1=CC=CC=C1>C1CCCO1>BrC1=CC=C(C=C1)[C@H](CC)N1C(O[C@](CC1)(C1=CC=CC=C1)CCCO)=O | 3 |
[CH:1]1[C:6]([C@H:7]2[C@H:12]([CH2:13][O:14][C:15]3[CH:16]=[CH:17][C:18]4[O:23][CH2:22][O:21][C:19]=4[CH:20]=3)[CH2:11][NH:10][CH2:9][CH2:8]2)=[CH:5][CH:4]=[C:3]([F:24])[CH:2]=1.Cl.CC(O)C.[OH-].[Na+]>C1(C)C=CC=CC=1.O>[CH:5]1[C:6]([C@H:7]2[C@H:12]([CH2:13][O:14][C:15]3[CH:16]=[CH:17][C:18]4[O:23][CH2:22][O:21][C:19]=4[C... | 2 |
[S-]C#N.[K+].C(=O)OCC.C(C)OC(CNC(C)=O)=O>C1(=CC=CC=C1)C.Cl.CC[O-].[Na+]>C(C)OC(=O)C=1N=C(NC1)S | 3 |
NC=1SC2=C(N1)C(=CC=C2N2CCOCC2)OC.O1CCC(CC1)C(=O)Cl>>COC1=CC=C(C2=C1N=C(S2)NC(=O)C2CCOCC2)N2CCOCC2 | 5 |
C(#N)CC(=O)OCC.FC(COS(=O)(=O)C(F)(F)F)(F)F>C1CCCO1.Cl.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C(C)OC(C(CC(F)(F)F)C#N)=O | 3 |
[C:1]1([CH:7]2[C:12]3[N:13]=[C:14]([NH:16][C:17]4[CH:25]=[CH:24][C:20]([C:21]([OH:23])=O)=[CH:19][CH:18]=4)[S:15][C:11]=3[CH2:10][CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:26](N1C=CN=C1)(N1C=CN=C1)=[O:27].[OH-].[NH4+:39]>CN(C)C=O>[CH3:26][O:27][C:24]1[CH:25]=[C:17]([NH:16][C:14]2[S:15][C:11]3[CH2:10][CH2:9][... | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.