smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
O=CC(=O)NCC1CN(CO1)C1=CC(=C(C=C1)N1C=NC(=C1)C(O[SiH2]C(C)(C)C)(C)C)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC=1C=C(C=CC1N1C=NC(=C1)CO)N1C(O[C@H](C1)CNC(C)=O)=O | 3 |
FC1=C(C=C(C(=C1)S(=O)(=O)C)F)F.OC=1C=C(C(=O)NC2=NN(C=C2)C)C=C(C1)O[C@H](CO)C>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(OC=2C=C(C(=O)NC3=NN(C=C3)C)C=C(C2)O[C@H](CO)C)C=C(C(=C1)S(=O)(=O)C)F | 3 |
Br[CH2:2][C:3](=[C:5]([C:11]([O:13][CH2:14][CH3:15])=[O:12])[C:6]([O:8][CH2:9][CH3:10])=[O:7])[CH3:4].CC(C)([O-])C.[K+].C(O)(=O)C>C(O)(C)(C)C>[CH2:2]=[C:3]1[CH2:4][C:5]1([C:11]([O:13][CH2:14][CH3:15])=[O:12])[C:6]([O:8][CH2:9][CH3:10])=[O:7] | 1 |
CC(CCC#N)=C>C1(=CC=CC=C1)C.CC(C)C[AlH]CC(C)C.ClCCl.Cl>CC(CCC=O)=C | 3 |
C(=O)(OC(C)(C)C)N[C@@H](CC1=CC=C(C=C1)I)C(=O)O>>IC1=CC=C(C=C1)C[C@@H](C(N1CCCCC1)=O)NC(OC(C)(C)C)=O | 5 |
[CH:1]([C:4]1[C:13]([O:14]C)=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[CH:6][C:5]=1[O:16]C)([CH3:3])[CH3:2].B(Br)(Br)Br.[Cl-].[NH4+]>ClCCl.[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[OH:14][C:13]1[CH:12]=[C:7]([CH:6]=[C:5]([OH:16])[C:4]=1[CH:1]([CH3:2])[CH3:3])[C:8]([O:10][CH3:11])=[O:9] | 2 |
O1C=NC2=NC=CC=C21.C(C)(C)(C)OC(N[C@@H](CC)C=O)=O>>C(C)(C)(C)OC(=O)NC([C@H](O)C=1OC=2C(=NC=CC2)N1)C | 5 |
CC1=C(C(=CC(=C1)C)C)S>>C1(=C(C(=CC(=C1)C)C)SCC(=O)OC)C | 5 |
C(C)(C)(C)OC(=O)N1C(OC(C1CC1CCCCC1)C(CSC)O)(C)C>Cl.O1CCOCC1>Cl.NC(C(C(CSC)O)O)CC1CCCCC1 | 3 |
[NH2:1][C:2]1[N:3]([CH2:15][C:16]2[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][CH:17]=2)[C:4]2[N:5]([CH2:12][CH2:13][N:14]=2)[C:6](=[O:11])[C:7]=1[NH:8][CH:9]=O.[C:23](OC(=O)CC)(=O)[CH2:24]C>N1C=CC=CC=1>[Cl:22][C:19]1[CH:20]=[CH:21][C:16]([CH2:15][N:3]2[C:2]3[N:1]=[C:9]([CH2:23][CH3:24])[NH:8][C:7]=3[C:6](=[O:11])[N:5]3[CH2:... | 1 |
C(C)(C)(C)OC(=O)N1CC=2N(C=3C=CC(=CC3C2)C=2N(C(C(=C(C2CC)O)C(=O)OC)=O)CC2=C(C=C(C=C2)OC)OC)CC1>C(C)(=O)OCC.[I-].[Li+]>C(C)C=1C(=C(C(NC1C1=CC=2C=C3N(C2C=C1)CCNC3)=O)C(=O)O)O | 3 |
[NH2:1][CH2:2][C:3]1([NH2:7])[CH2:6][O:5][CH2:4]1.C(N(CC)CC)C.[Cl:15][C:16]1[N:17]=[C:18](Cl)[C:19]2[S:24][CH:23]=[CH:22][C:20]=2[N:21]=1.O>ClCCl>[NH2:7][C:3]1([CH2:2][NH:1][C:18]2[C:19]3[S:24][CH:23]=[CH:22][C:20]=3[N:21]=[C:16]([Cl:15])[N:17]=2)[CH2:6][O:5][CH2:4]1.[NH2:1][CH2:2][C:3]1([NH:7][C:18]2[C:19]3[S:24][CH:2... | 1 |
[F:1][CH:2]([CH2:12][CH2:13][N:14]1[CH:19]=[CH:18][C:17]([CH2:20][O:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)=[CH:16][C:15]1=[O:28])[CH2:3][N:4]1[CH:8]=[C:7]([C:9]([OH:11])=O)[N:6]=[N:5]1.[F:29][C:30]([F:41])([F:40])[O:31][C:32]1[CH:33]=[C:34]([CH2:38][NH2:39])[CH:35]=[CH:36][CH:37]=1.F[P-](F)(F)(F)(F)F.N1(O[P... | 2 |
O=S(Cl)Cl.[CH3:5][S:6]([C:9]1[CH:14]=[CH:13][C:12]([CH2:15][C:16]([OH:18])=[O:17])=[CH:11][CH:10]=1)(=[O:8])=[O:7].[CH3:19][CH2:20]O>>[CH3:5][S:6]([C:9]1[CH:10]=[CH:11][C:12]([CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])=[CH:13][CH:14]=1)(=[O:7])=[O:8] | 1 |
BrCCCCCC1=CC=CC=C1.C(#N)C1=CC=C(C=C1)CCC(CC1=CC=C(C(=O)OC)C=C1)\C=C\C1=C(C=CC=C1)O>>C(#N)C1=CC=C(C=C1)CCC(CC1=CC=C(C(=O)OC)C=C1)\C=C\C1=C(C=CC=C1)OCCCCCC1=CC=CC=C1 | 5 |
BrCC1=CC=C(C#N)C=C1.CC1(CC(CCC1)S)C>>CC1(CC(CCC1)SCC1=CC=C(C#N)C=C1)C | 5 |
C1(CC1)B(O)O.BrC1=C(C=CC=C1)CC(=O)OCC>C1(=CC=CC=C1)C.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C1(CCCCC1)P(C1CCCCC1)C1CCCCC1>C1(CC1)C1=C(C=CC=C1)CC(=O)OCC | 3 |
[Si](C)(C)(C(C)(C)C)O[C@@H](CCC[C@@H](/C=C/[C@@H]1[C@H]([C@@H](C[C@H]1OC1OCCCC1)Cl)CCCC1=CC=C(S1)C(=O)OC)O)C>>Cl[C@@H]1C[C@H]([C@@H]([C@H]1CCCC1=CC=C(S1)C(=O)OC)\C=C\[C@H](CCC[C@@H](C)O)O)OC1OCCCC1 | 5 |
CC1=C(C=CC=C1)O>CN1C(CCC1)=O.C(=O)([O-])[O-].[Cs+].[Cs+]>CC1(C(CCCC1)C1=NC(=NC(=C1)OC1=C(C=CC=C1)C)NS(=O)(=O)C=1C=NN(C1)C)C | 3 |
[Cl:1][C:2]1[C:6]2[N:7]([C:17](Cl)=[O:18])[C:8]3[CH:16]=[CH:15][CH:14]=[CH:13][C:9]=3[NH:10][C:11](=[O:12])[C:5]=2[N:4]([CH3:20])[CH:3]=1.[CH2:21]([N:24]([CH2:28][CH:29]1[CH2:34][CH2:33][CH2:32][CH2:31][N:30]1[CH2:35][CH2:36][NH2:37])[CH2:25][CH2:26][CH3:27])[CH2:22][CH3:23]>>[Cl:1][C:2]1[C:6]2[N:7]([C:17]([NH:37][CH2:... | 1 |
C([O:5][C:6](=[O:37])[CH2:7][N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([O:17][CH2:18][C:19]3[S:23][C:22]([C:24]4[CH:29]=[CH:28][C:27]([C:30]([F:33])([F:32])[F:31])=[C:26]([F:34])[C:25]=4[F:35])=[N:21][C:20]=3[CH3:36])[CH:15]=2)[CH:10]=[CH:9]1)(C)(C)C.[Li+].[OH-]>>[F:35][C:25]1[C:26]([F:34])=[C:27]([C:30]([F:32])([F:31]... | 1 |
C([O:9][CH2:10][CH2:11][N:12]1[C:20]2[C:19](Cl)=[N:18][CH:17]=[N:16][C:15]=2[CH:14]=[CH:13]1)(=O)C1C=CC=CC=1.[NH2:22][C:23]1[CH:43]=[CH:42][C:26]([O:27][C:28]2[CH:36]=[C:35]3[C:31]([CH2:32][CH2:33][C:34]3([C:38]([F:41])([F:40])[F:39])[OH:37])=[CH:30][CH:29]=2)=[C:25]([Cl:44])[CH:24]=1.Cl.N1C=CC=CC=1.C(=O)([O-])O.[Na+].... | 2 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][Br:7].[C:8]([O:13][CH2:14][CH3:15])(=[O:12])[CH:9]([CH3:11])[CH3:10].[Li+].CC([N-]C(C)C)C>C1COCC1>[Br:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][C:9]([CH3:11])([CH3:10])[C:8]([O:13][CH2:14][CH3:15])=[O:12] | 1 |
C(C#C)OC.BrC=1C=C2C3(N=C(OC3)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3(COC3)COC2=CC1>>COCC#CC=1C=C2C3(N=C(OC3)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3(COC3)COC2=CC1 | 5 |
[NH:1]1[C:5]([NH2:6])=[N:4][N:3]=[N:2]1.N1C=CC=CC=1.Cl[C:14]([O:16][CH2:17][C:18]([Cl:21])([Cl:20])[Cl:19])=[O:15].O>O1CCCC1>[NH:1]1[C:5]([NH:6][C:14](=[O:15])[O:16][CH2:17][C:18]([Cl:21])([Cl:20])[Cl:19])=[N:4][N:3]=[N:2]1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5](/[CH:8]=[CH:9]/[C:10]([O:12][CH2:13][CH3:14])=[O:11])=[C:4]([F:15])[CH:3]=1>C(O)C.[C].[Pd]>[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])=[C:4]([F:15])[CH:3]=1 | 1 |
[NH2:1][C:2]1[CH:12]=[C:11]([F:13])[CH:10]=[CH:9][C:3]=1[C:4]([NH:6][O:7][CH3:8])=[O:5].[CH3:14][N:15]1[CH:19]=[C:18]([NH:20][C:21]2[CH:26]=[C:25](I)[C:24]([C:28]([F:31])([F:30])[F:29])=[CH:23][N:22]=2)[C:17]([CH3:32])=[N:16]1>>[CH3:14][N:15]1[CH:19]=[C:18]([NH:20][C:21]2[CH:26]=[C:25]([NH:1][C:2]3[CH:12]=[C:11]([F:13]... | 1 |
C1(CCC(=O)O1)=O.C1(=CC=CC=C1)OC>O.[Al](Cl)(Cl)Cl.Cl>COC1=CC=C(C=C1)C(CCC(=O)O)=O | 3 |
FC(C=1C=C(CN)C=C(C1)C(F)(F)F)(F)F.CC=1C=CC=C2C=C(C(=NC12)N1CCN(CC1)CC(N1CCCC1)=O)C=O>>FC(C=1C=C(CNCC=2C(=NC3=C(C=CC=C3C2)C)N2CCN(CC2)CC(=O)N2CCCC2)C=C(C1)C(F)(F)F)(F)F | 5 |
C1(=CC=CC=C1)CCN.C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)CC(NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C1(=CC=CC=C1)CCNC(=O)[C@@H](CC(NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)NC(OC(C)(C)C)=O | 3 |
ClC1=C(C=CC(=C1)OCC1(COC1)C)C1=CC(=CC=C1)COC1=CC=C(C=C1)C1(COC1)CC(=O)OCC>>ClC1=C(C=CC(=C1)OCC1(COC1)C)C1=CC(=CC=C1)COC1=CC=C(C=C1)C1(COC1)CC(=O)O | 5 |
[CH2:1]([C:6]1[CH:13]=[CH:12][C:9]([CH2:10][NH2:11])=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH2:4][CH3:5].Cl[CH2:15][C:16]1[N:17]=[C:18]([C:21]2[CH:29]=[CH:28][C:24]([C:25](Cl)=[O:26])=[CH:23][CH:22]=2)[S:19][CH:20]=1.[Cl:30][C:31]1[CH:39]=[CH:38][C:34]([C:35](Cl)=[O:36])=[CH:33][N:32]=1.[NH2:40][C:41]1[CH:53]=[CH:52][C:44]2[O:... | 2 |
[C:1]([C:3]1[CH:8]=[C:7]([CH3:9])[CH:6]=[CH:5][N:4]=1)#[N:2]>CO.Cl>[CH3:9][C:7]1[CH:6]=[CH:5][N:4]=[C:3]([CH2:1][NH2:2])[CH:8]=1 | 1 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.FC(S(=O)(=O)OC1=NC=CC2=CN=C(C=C12)OCC1=CC=CC=C1)(F)F>>C(C1=CC=CC=C1)OC1=NC=C2C=CN=C(C2=C1)C=1C=NN(C1)C | 5 |
Br[C:2]1[C:10]([O:11][CH3:12])=[CH:9][C:5]2[CH2:6][CH2:7][O:8][C:4]=2[CH:3]=1.C([Li])CCC.CN([CH:21]=[O:22])C>C1COCC1>[CH3:12][O:11][C:10]1[C:2]([CH:21]=[O:22])=[CH:3][C:4]2[O:8][CH2:7][CH2:6][C:5]=2[CH:9]=1 | 1 |
COC(=O)CCCCCO[C:10]1[CH:15]=[CH:14][C:13]([NH2:16])=[C:12]([NH:17][CH2:18]CCOC)[CH:11]=1.COC(OC)(OC)C1C=CC=CC=1>>[N:16]1[C:13]2[CH:14]=[CH:15][CH:10]=[CH:11][C:12]=2[NH:17][CH:18]=1 | 2 |
[C:1]([C:3]1[CH:8]=[C:7]([C:9]2[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][CH:10]=2)[N:6]=[CH:5][C:4]=1[C:19]([O:21][CH3:22])=[O:20])#[N:2].[ClH:23]>[Pd].CO>[ClH:23].[NH2:2][CH2:1][C:3]1[CH:8]=[C:7]([C:9]2[CH:10]=[CH:11][C:12]([C:15]([F:17])([F:18])[F:16])=[CH:13][CH:14]=2)[N:6]=[CH:5][C:4]=1[C:19]([O:2... | 2 |
C(O[C:4](=[O:11])[CH2:5][N:6]1[N:10]=[CH:9][CH:8]=[N:7]1)C.O.[NH2:13][NH2:14]>C(O)C>[N:10]1[N:6]([CH2:5][C:4]([NH:13][NH2:14])=[O:11])[N:7]=[CH:8][CH:9]=1 | 1 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([O:8][CH2:9][O:10][CH3:11])[C:3]=1[F:12].[F:13][C:14]1[CH:19]=[CH:18][C:17](B(O)O)=[CH:16][CH:15]=1.C(=O)([O-])[O-].[Na+].[Na+].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1>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/C2C=CC=CC... | 1 |
[NH2:1][C:2]1[CH:17]=[CH:16][C:15]([F:18])=[CH:14][C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([Cl:13])=[CH:9][N:8]=1)=[O:5].[N:19]1[CH:24]=[CH:23][C:22]([N:25]2[CH2:30][CH2:29][CH:28]([C:31](Cl)=[O:32])[CH2:27][CH2:26]2)=[CH:21][CH:20]=1>>[ClH:13].[Cl:13][C:10]1[CH:11]=[CH:12][C:7]([NH:6][C:4](=[O:5])[C:3]2[CH:14]=[... | 2 |
COC(CC1=CC(=CC=C1)C=O)=O.C(CCC)C=1N(C2=C(C(=NC=3C=CC=CC23)N)N1)CCCNC1CCN(CC1)C>>NC1=NC=2C=CC=CC2C2=C1N=C(N2CCCN(C2CCN(CC2)C)CC=2C=C(C=CC2)CC(=O)OC)CCCC | 5 |
ClC=1N=C(C2=C(N1)C=C(S2)I)N2CCOCC2.C(C)OC(=O)C=1C=NC=C(C1)B1OC(C)(C)C(C)(C)O1>>ClC=1N=C(C2=C(N1)C=C(S2)C=2C=C(C=NC2)C(=O)OCC)N2CCOCC2 | 5 |
[CH3:1][CH:2]([CH3:19])[CH2:3][C@@H:4]([O:11][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[C@@H:5]([C:7]([O:9][CH3:10])=[O:8])[NH2:6].N[C@@H](C(OC)=O)C(C)C.[NH2:29][C:30]1[C:31]([C:40](O)=[O:41])=[CH:32][C:33]2[C:38]([CH:39]=1)=[CH:37][CH:36]=[CH:35][CH:34]=2.C(N(C(C)C)CC)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)... | 2 |
FC=1C=C(C=CC1OC(F)(F)F)C(C(C)(C)O)NC(=O)C=1C=NN2C1N=CC(=C2)C>CCCCCC.CCO>FC=1C=C(C=CC1OC(F)(F)F)[C@H](C(C)(C)O)NC(=O)C=1C=NN2C1N=CC(=C2)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:15]([CH2:19][CH2:20][CH:21]([C:25]2[CH:30]=[C:29]([O:31][CH3:32])[C:28]([O:33][CH3:34])=[C:27]([O:35][CH3:36])[CH:26]=2)[C:22](O)=[O:23])C(O)=O)[CH:6]=[C:7]([S:13]C)[C:8]=1[O:9][CH2:10][CH2:11][CH3:12].BrC1C=C(C2CCC(C3C=C(OC)C(OC)=C(OC)C=3)C2=O)C=C(OC)[C:43]=1[O:44]CCC>>[CH3:1][O:2][C... | 1 |
[F:1][C:2]([F:13])([F:12])[C:3]1[CH:11]=[CH:10][C:6]([C:7]([NH2:9])=[S:8])=[CH:5][CH:4]=1.Br[CH2:15][C:16]([C:18]1[CH:28]=[CH:27][C:21]([C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:20][CH:19]=1)=O>>[F:13][C:2]([F:1])([F:12])[C:3]1[CH:11]=[CH:10][C:6]([C:7]2[S:8][CH:15]=[C:16]([C:18]3[CH:28]=[CH:27][C:21]([C:22]([O:24][CH... | 1 |
[CH3:1][C:2]([CH3:18])([CH3:17])[CH2:3][C:4]([NH:6][C:7]1[CH:8]=[C:9]2[C:13](=[CH:14][C:15]=1[Br:16])[NH:12][CH2:11][CH2:10]2)=[O:5].[F:19][C:20]([F:30])([F:29])[C:21]1[CH:28]=[CH:27][C:24]([CH:25]=O)=[CH:23][CH:22]=1>>[Br:16][C:15]1[CH:14]=[C:13]2[C:9]([CH2:10][CH2:11][N:12]2[CH2:25][C:24]2[CH:23]=[CH:22][C:21]([C:20]... | 2 |
[CH:1](/[C:9]1[N:10]=[C:11]2[CH:17]=[CH:16][N:15]([S:18]([C:21]3[CH:27]=[CH:26][C:24]([CH3:25])=[CH:23][CH:22]=3)(=[O:20])=[O:19])[C:12]2=[N:13][CH:14]=1)=C\C1C=CC=CC=1.[O:28]1CCOCC1>O.O=[Os](=O)(=O)=O>[S:18]([N:15]1[C:12]2=[N:13][CH:14]=[C:9]([CH:1]=[O:28])[N:10]=[C:11]2[CH:17]=[CH:16]1)([C:21]1[CH:27]=[CH:26][C:24]([... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11]3([N:14]4[CH:18]=[N:17][C:16]([Cl:19])=[N:15]4)[CH2:13][CH2:12]3)[CH2:10][O:9]2)=[CH:4][CH:3]=1.[NH:20]1[CH:24]=[N:23][CH:22]=[N:21]1>CN(C)C=O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:11]2([N:14]3[CH:18]=[N:17][C:16]([Cl:19])=[N:15]3)[CH2:13][CH2:12]2)([OH:9])[CH2:10][N:20]2[C... | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=[O:6].[CH2:10](O)[CH2:11][OH:12].O.C1(C)C=CC(S(O)(=O)=O)=CC=1.O>C1C=CC=CC=1>[O:6]1[CH2:10][CH2:11][O:12][CH:5]1[C:4]1[CH:3]=[C:2]([Br:1])[CH:9]=[CH:8][CH:7]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:10]=[CH:11][NH:12][C:13]=2[C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)=[CH:5][CH:4]=1.[O:22]1[CH:27]=[CH:26][CH2:25][CH2:24][CH2:23]1.[Sn](Cl)(Cl)(Cl)Cl.C(=O)(O)[O-].[Na+]>ClCCCl>[CH3:21][O:20][C:17]1[CH:18]=[CH:19][C:14]([C:13]2[N:12]=[CH:11][N:10]([CH:23... | 1 |
Cl[C:2]1[N:7]=[C:6]([Cl:8])[N:5]=[C:4]([N:9]2[C:21]3[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=3[C:15]3[C:10]2=[CH:11][CH:12]=[CH:13][CH:14]=3)[N:3]=1.[C:22]1(B(O)O)[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.C([O-])(O)=O.[Na+]>COCCOC.CC([O-])=O.CC([O-])=O.[Pd+2]>[Cl:8][C:6]1[N:7]=[C:2]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:2... | 2 |
ClCC(=O)Cl.NC1=C(C=CC(=C1F)CCCl)O>C1CCCO1.C(O)([O-])=O.[Na+]>ClCCC=1C=CC2=C(NC(CO2)=O)C1F | 3 |
[CH2:1]([O:3][C:4]([C:6]1[NH:7][C:8]2[N:9]([N:13]=[C:14]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH:15]=2)[C:10](=O)[CH:11]=1)=[O:5])[CH3:2].C(OC(C1C=C([Cl:33])N2N=CC=C2N=1)=O)C>>[CH2:1]([O:3][C:4]([C:6]1[CH:11]=[C:10]([Cl:33])[N:9]2[N:13]=[C:14]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH:15]=[C:8]2[N:7... | 1 |
Br[C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[O:9][CH3:10].[O:11]1[CH2:16][CH:15]=[C:14](B2OC(C)(C)C(C)(C)O2)[CH2:13][CH2:12]1.C(=O)(O)[O-].[Na+]>[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O1CCOCC1>... | 2 |
CC(C)([O-])C.[K+].[CH2:7]1[CH2:11][O:10][CH2:9][CH2:8]1.OC1C=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]([CH3:23])[C:18](=[O:24])[CH2:17][CH2:16]2.C(I)C>>[CH2:11]([O:10][C:9]1[CH:8]=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]([CH3:23])[C:18](=[O:24])[CH2:17][CH2:16]2)[CH3:7] | 1 |
[C:1]([S@@:5](/[N:7]=[CH:8]/[CH:9]1[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH2:10]1)=[O:6])([CH3:4])([CH3:3])[CH3:2].[CH3:22][Mg+].[Br-]>C(Cl)Cl>[CH3:2][C:1]([CH3:4])([S@@:5]([NH:7][C@@H:8]([CH:9]1[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:... | 2 |
C1CO[C:8]2[CH:7]=[CH:6][C:5]([NH:11][C:12]3[C:17]([F:18])=[CH:16][N:15]=[C:14]([NH:19][C:20]4[CH:25]=[CH:24][CH:23]=[C:22](O)[CH:21]=4)[N:13]=3)=[CH:4][C:3]=2[O:2]1.[S:27]1[C:31]2C=CC=CC=2[C:29](CN)=[CH:28]1>>[S:27]1[C:28]2[CH:29]=[CH:21][CH:22]=[CH:23][C:24]=2[C:25]([CH2:20][NH:19][C:14]2[N:13]=[C:12]([NH:11][C:5]3[CH... | 1 |
[CH3:1][O:2][CH2:3][C:4]1[N:9]=[C:8]([NH2:10])[C:7]([N+:11]([O-])=O)=[C:6]([NH2:14])[CH:5]=1>CCO.[Pd]>[CH3:1][O:2][CH2:3][C:4]1[N:9]=[C:8]([NH2:10])[C:7]([NH2:11])=[C:6]([NH2:14])[CH:5]=1 | 1 |
[C:1]1([CH:6]=[C:7]2[C:16](=O)[C:15]3[C:10](=[CH:11][C:12]([C:18]([O:20][CH3:21])=[O:19])=[CH:13][CH:14]=3)[O:9][CH2:8]2)[CH2:5][CH2:4][CH2:3][CH:2]=1.Cl.[NH:23]([C:25]1[CH:32]=[CH:31][C:28]([C:29]#[N:30])=[C:27]([CH3:33])[CH:26]=1)[NH2:24].C(OCC)(=O)C.CCCCCC>C(O)C>[C:29]([C:28]1[CH:31]=[CH:32][C:25]([N:23]2[CH:6]([C:1... | 1 |
N1=CC=C(C=C1)NC=1N=CC2=C(N1)N(C(C(=C2)C2=CC(=CC(=C2)OC)OC)=O)CC>>Cl.N1=CC=C(C=C1)NC=1N=CC2=C(N1)N(C(C(=C2)C2=CC(=CC(=C2)OC)OC)=O)CC | 3 |
BrC1=CC=C(C=C1)OC(F)(F)F.FC(C(=O)N1CCCCC1)(F)F>C1CCCO1.C(CCC)[Li]>FC(C(=O)C1=CC=C(C=C1)OC(F)(F)F)(F)F | 3 |
FC1=CC=C(C#N)C=C1.COC1=NC=C(C(=N1)OC)C=1C=C(C=2N(N1)C=CN2)N2CC(C(C2)(F)F)O>O.CN1C(CCC1)=O.C(O)([O-])=O.[Na+].C(=O)([O-])[O-].[Cs+].[Cs+]>COC1=NC=C(C(=N1)OC)C=1C=C(C=2N(N1)C=CN2)N2CC(C(C2)(F)F)OC2=CC=C(C#N)C=C2 | 3 |
Cl.Cl.NCCNC1=NC=C(C#N)C=C1.Cl.ClC1=NC(=CC=2N1N=C(N2)C2CCN(CC2)C(C)C)C2=C(C=C(C=C2)Cl)Cl>CS(=O)C.C(C)(C)N(C(C)C)CC>ClC1=C(C=CC(=C1)Cl)C1=CC=2N(C(=N1)NCCNC1=CC=C(C=N1)C#N)N=C(N2)C2CCN(CC2)C(C)C | 3 |
C(O)(=O)CCCCCCCCCCCCCCCCC.NCCCO.C[O-].[Na+].[OH:29][CH2:30][CH2:31][CH2:32][NH:33][C:34](=[O:52])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[C:53]([C:57]1[CH:58]=[C:59]([CH2:68][CH2:69][C:70](O)=[O:71])[CH:60]=[C:61]([C:64]([C... | 1 |
ClC1=C2C(=NC(=N1)C)N(N=C2)COCC[Si](C)(C)C.FC1=CC=C(C=C1)C1=NN2C(COC(C2)C(F)(F)F)=C1B1OC(C(O1)(C)C)(C)C>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>FC1=CC=C(C=C1)C1=NN2C(COC(C2)C(F)(F)F)=C1C1=C2C(=NC(=N1)C)N(N=C2)COCC[Si](C)(C)C | 3 |
S1C2=C(C=C1B(O)O)C=CC=C2.BrC1=NN(C2=NC=NC(=C21)N)C(C)(C)C>O.C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>S1C2=C(C=C1C1=NN(C3=NC=NC(=C31)N)C(C)(C)C)C=CC=C2 | 3 |
[F:1][C:2]([F:27])([F:26])[C:3]1[CH:8]=[C:7]([C:9]2[N:13]=[CH:12][N:11](COCC[Si](C)(C)C)[N:10]=2)[CH:6]=[C:5]([C:22]([F:25])([F:24])[F:23])[N:4]=1.C(OCC)(=O)C.CCCCCC>Cl.O1CCOCC1>[NH:11]1[CH:12]=[N:13][C:9]([C:7]2[CH:6]=[C:5]([C:22]([F:23])([F:24])[F:25])[N:4]=[C:3]([C:2]([F:27])([F:1])[F:26])[CH:8]=2)=[N:10]1 | 1 |
O[CH2:2][C:3]1[N:8]=[C:7]([NH:9][C:10]2[CH:14]=[C:13]([CH3:15])[NH:12][N:11]=2)[CH:6]=[CH:5][CH:4]=1.S(Cl)([Cl:18])=O>C(Cl)(Cl)Cl.CN(C)C=O>[Cl:18][CH2:2][C:3]1[N:8]=[C:7]([NH:9][C:10]2[CH:14]=[C:13]([CH3:15])[NH:12][N:11]=2)[CH:6]=[CH:5][CH:4]=1 | 1 |
C1(CC1)C=C1C=2N(CCN1C(=O)OC(C)(C)C)N=C(N2)C(F)(F)F>CCO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N1C(C=2N(CC1)N=C(N2)C(F)(F)F)CC2CC2 | 3 |
[ClH:1].C([NH:5][C:6]1[C:15](=[O:16])[C:14]2[N:13]=[C:12]([CH3:17])[CH:11]=[CH:10][C:9]=2[C:8](=[O:18])[CH:7]=1)(=O)C.C(=O)(O)[O-].[Na+]>CO>[NH2:5][C:6]1[C:15](=[O:16])[C:14]2[N:13]=[C:12]([CH3:17])[CH:11]=[CH:10][C:9]=2[C:8](=[O:18])[C:7]=1[Cl:1] | 1 |
[NH2:1][C:2]1[N:6]([CH:7]2[CH2:12][CH2:11][CH2:10][NH:9][CH2:8]2)[N:5]=[C:4]([C:13]2[CH:18]=[CH:17][C:16]([O:19][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[CH:15][CH:14]=2)[C:3]=1[C:26]([NH2:28])=[O:27].[C:29](O)(=[O:33])/[CH:30]=[CH:31]/[CH3:32].C(N(CC)C(C)C)(C)C>O1CCCC1>[NH2:1][C:2]1[N:6]([CH:7]2[CH2:12][CH2:11]... | 2 |
Cl[C:2]1[NH:3][C:4]2[N:5]([N:12]=[CH:13][C:14]=2[C:15]#[N:16])[C:6](=[O:11])[C:7]=1[CH:8]([CH3:10])[CH3:9].[NH:17]1[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1.CC(OC1C=CC=C(OC(C)C)C=1C1C(P(C2CCCCC2)C2CCCCC2)=CC=CC=1)C.CC([O-])(C)C.[Na+]>CC(OC1C=CC=C(OC(C)C)C=1C1C(P(C2CCCCC2)C2CCCCC2)=CC=CC=1)C.C1COCC1>[CH:8]([C:7]1[C:6](=... | 2 |
CC(C)([O-])C.[K+].[N:7]#[C:8][NH2:9].C(O)(C)(C)C.[CH3:15][O:16][C:17]1[CH:18]=[C:19]2[C:23](=[CH:24][CH:25]=1)[NH:22][C:21]([CH3:26])=[C:20]2/[CH:27]=[C:28]1/[C:29](=[O:35])[N:30]=[C:31](SC)[S:32]/1>O>[CH3:15][O:16][C:17]1[CH:18]=[C:19]2[C:23](=[CH:24][CH:25]=1)[NH:22][C:21]([CH3:26])=[C:20]2/[CH:27]=[C:28]1/[C:29](=[O... | 1 |
C(C)(=O)OC(C)=O.N=1C=C(N2C1C=CC=C2)C2=NC(=NC=C2OC)NC2=C(C=C(C=C2)OC[C@@H]2NCCC2)OC>>N=1C=C(N2C1C=CC=C2)C2=NC(=NC=C2OC)NC2=C(C=C(OC[C@@H]1N(CCC1)C(C)=O)C=C2)OC | 5 |
BrC=1C=C(C(=NC1)F)C1=C(C=NC(=C1)Cl)N.Br.N1(CCCCC1)CC1=CC=C(C=C1)B(O)O>CC#N.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].[F-].[K+]>ClC1=CC(=C(C=N1)N)C=1C(=NC=C(C1)C1=CC=C(C=C1)CN1CCCCC1)F | 3 |
ClC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1.ClC1=C(C2=C(OCO2)C(=C1)C#CCOCC)N>N(C)(C)C=O.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>ClC1=C(C2=C(OCO2)C(=C1)C#CCOCC)NC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1 | 3 |
[Si](C)(C)(C(C)(C)C)OCC=1C=C(NC2=NC=C(C(=N2)N[C@H]2[C@@H](CCCC2)C#N)C(F)(F)F)C=C(C1B1OCC(CO1)(C)C)Cl>C1CCCO1.Cl>ClC1=CC(=CC2=C1B(OC2)O)NC2=NC=C(C(=N2)N[C@H]2[C@@H](CCCC2)C#N)C(F)(F)F | 3 |
N=1N2C(C=CC1)=CC(=C2)C(=O)O>>N=1N2C(C=CC1)=CC(=C2)C(=O)OC | 5 |
[NH2:1][C:2]1[C:10]([Cl:11])=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([O:12][CH3:13])[CH:3]=1.[CH2:14]([O:16][C:17](=[O:31])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][N:23]1[CH2:28][CH2:27][O:26][C@@H:25]([CH2:29][NH2:30])[CH2:24]1)[CH3:15].Cl.C(N=C=N[CH2:38][CH2:39][CH2:40][N:41]([CH3:43])C)C.Cl[CH2:45]Cl>>[NH2:1][C:2]1[C... | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:11]3[C:18]4[CH2:19][CH2:20][NH:21][CH2:22][C:17]=4[O:16][C:12]=3[N:13]=[CH:14][N:15]=2)[CH:5]=[CH:6][C:7]=1[Cl:8].Cl.[CH3:24][N:25]([CH3:32])[CH2:26]/[CH:27]=[CH:28]/[C:29](O)=[O:30]>>[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:11]3[C:18]4[CH2:19][CH2:20][N:21]([C:29](=[O:30])/[CH:... | 1 |
[N+](=O)([O-])CCC.CN(C)CC1C(C1)C=1C=C2C(=CNC2=CC1)C=O.P(=O)(O)([O-])[O-].[NH4+].[NH4+]>C(C)(=O)O>CN(C)CC1C(C1)C=1C=C2C(=CNC2=CC1)C#N | 3 |
P(C)(C)C.[N:5]([CH2:8][C:9]1[N:10]=[N:11][C:12]([C:15]2[C:20]([F:21])=[CH:19][CH:18]=[CH:17][C:16]=2[F:22])=[CH:13][CH:14]=1)=[N+]=[N-].[Si:23]([O:30][C@@H:31]1[C@@H:36]([CH3:37])[CH2:35][N:34]([C:38]2[CH:43]=[CH:42][N:41]=[CH:40][C:39]=2[N:44]=[C:45]=S)[CH2:33][C@H:32]1[NH:47][C:48](=[O:54])[O:49][C:50]([CH3:53])([CH3... | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:26]=[CH:27][CH:28]=1)[C:7]([C:9]1[CH:10]=[C:11]([CH2:18][CH2:19][CH2:20][C:21]([O:23][CH2:24][CH3:25])=[O:22])[N:12]2[C:17]=1[CH:16]=[CH:15][CH:14]=[CH:13]2)=[O:8])([O-])=O.[H][H]>O1CCOCC1CCO.[Pd]>[NH2:1][C:4]1[CH:5]=[C:6]([CH:26]=[CH:27][CH:28]=1)[C:7]([C:9]1[CH:10]=[C:11]([CH2:18][CH2:19... | 1 |
C1(CCCCC1)N.COC(=O)CC1=CC=C(C=C1)N1N=CC(=C1SCCC)C(=O)O>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl.C(C)(C)N(C(C)C)CC>C1(CCCCC1)NC(=O)C=1C=NN(C1SCCC)C1=CC=C(C=C1)CC(=O)OC | 3 |
O1C(=CC=C1)B(O)O.BrC=1C=C2C(=CNC2=C(C1)C(=O)N)[C@H]1C[C@@H](S(CC1)(=O)=O)C(C)C>>O1C(=CC=C1)C=1C=C2C(=CNC2=C(C1)C(=O)N)[C@H]1C[C@@H](S(CC1)(=O)=O)C(C)C | 5 |
COC1=CC=C(C=C1)S(=O)(=O)Cl.COC(=O)C1(CCNCC1)S(=O)(=O)C1=CC=C(C=C1)OCC#CC>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>C(C#CC)OC1=CC=C(C=C1)S(=O)(=O)C1(CCN(CC1)S(=O)(=O)C1=CC=C(C=C1)OC)C(=O)OC | 3 |
C(CCCCCCCCCCCCCCC)Br.OC1=C(C=O)C(=CC(=C1)O)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(CCCCCCCCCCCCCCC)OC1=C(C=O)C(=CC(=C1)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC | 3 |
[Si:1]([O:18][CH2:19][C@H:20]1[O:27][C@@H:24]([S:25][CH3:26])[C@H:23]([NH:28][C:29](=[C:31]2[C:36](=[O:37])[CH2:35][C:34]([CH3:39])([CH3:38])[CH2:33][C:32]2=[O:40])[CH3:30])[C@@H:22]([O:41][C:42](=[O:50])[C:43]2[CH:48]=[CH:47][C:46]([Cl:49])=[CH:45][CH:44]=2)[C@@H:21]1[OH:51])([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1... | 1 |
NC1=C(C(=O)NCC2CCCCC2)C=C(C=C1)Cl.CC1=C(C(=O)O)C=CC=C1C(F)(F)F>C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=CC(=C(C=C1)NC(C1=C(C(=CC=C1)C(F)(F)F)C)=O)C(=O)NCC1CCCCC1 | 3 |
C1(=CC=CC=C1)N1CCNCC1.C1(=CC=CC=C1)C1=C(C=O)C=CC=C1>CO[H].ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C1(=C(C=CC=C1)CN1CCN(CC1)C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([C:13]2[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=2)=[C:11]([C:19]2[O:23][N:22]=[C:21]([C:24]3[CH:31]=[CH:30][C:27]([CH:28]=O)=[CH:26][CH:25]=3)[N:20]=2)[N:10]=[N:9]1.[OH:32][CH2:33][CH:34]1[CH2:39][CH2:38][CH2:37][NH:36][CH2:35]1>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4]... | 1 |
ClC=1C=C(C(=C(C(=O)OC)C1)C)O.CS(=O)(=O)OC1CCN(CC1)C1=NC=NC=C1>>ClC=1C=C(C(=C(C(=O)OC)C1)C)OC1CCN(CC1)C1=NC=NC=C1 | 5 |
[CH:1]([N:4]([CH:14]1[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]1)[C:5](=[O:13])[C:6]1[CH:11]=[CH:10][C:9](Br)=[CH:8][CH:7]=1)([CH3:3])[CH3:2].[CH2:20]([O:22][C:23]1[CH:28]=[CH:27][C:26]([OH:29])=[CH:25][CH:24]=1)[CH3:21]>N1C(C)=CC(C)=CC=1C>[CH:14]1([N:4]([CH:1]([CH3:3])[CH3:2])[C:5](=[O:13])[C:6]2[CH:11]=[CH:10][C:9]([O:... | 1 |
[NH2:1][C:2]([NH:4][C@H:5]([C:9]([N:11]1[CH2:19][C@H:18]([O:20][C:21]2[C:30]3[C:25](=[CH:26][CH:27]=[C:28]([CH:31]=[CH2:32])[CH:29]=3)[CH:24]=[CH:23][N:22]=2)[CH2:17][C@H:12]1[C:13]([O:15][CH3:16])=[O:14])=[O:10])[CH:6]([CH3:8])[CH3:7])=[S:3].Br[CH2:34][C:35](=O)[CH2:36][CH2:37][CH:38]=[CH2:39]>O1CCOCC1>[CH2:36]([C:35]... | 1 |
[N+](=O)([O-])C=1C=C(C(=O)O)C=CC1>S(O)(O)(=O)=O.BrN1C(CCC1=O)=O>BrC=1C=C(C(=O)O)C=C(C1)[N+](=O)[O-] | 3 |
I[C:2]1[C:10]2[C:5](=[CH:6][C:7]([CH3:11])=[CH:8][CH:9]=2)[N:4]([CH2:12][CH2:13][N:14]([CH3:16])[CH3:15])[N:3]=1.C([Mg]Cl)(C)C.[CH2:22]([Sn:26]([CH2:32][CH2:33][CH2:34][CH3:35])([CH2:28][CH2:29][CH2:30][CH3:31])Cl)[CH2:23][CH2:24][CH3:25]>C1COCC1>[CH3:15][N:14]([CH3:16])[CH2:13][CH2:12][N:4]1[C:5]2[C:10](=[CH:9][CH:8]=... | 1 |
O1C(=CC2=C1C=CC=C2)C2=NC1=CC=CC=C1C(N2)=O>P(=O)(Cl)(Cl)Cl.[Cl-].C[N+](C)(C)C>O1C(=CC2=C1C=CC=C2)C2=NC1=CC=CC=C1C(=N2)Cl | 3 |
Cl[CH2:2][C:3](=O)[C:4](=[N:22][O:23][CH2:24][C:25]([O:27][CH3:28])=[O:26])[C:5]([NH:7][CH:8]1[C:20](=[O:21])[N:10]2[C:11]([C:17]([OH:19])=[O:18])=[C:12]([CH:15]=[CH2:16])[CH2:13][S:14][C@H:9]12)=[O:6].[NH2:30][C:31]([NH2:33])=[S:32].C([O-])(=O)C.[Na+].Cl>O>[NH2:33][C:31]1[S:32][CH:2]=[C:3]([C:4](=[N:22][O:23][CH2:24][... | 1 |
BrCC(=O)N1CCOCC1.NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC(C)(C)O)COCC)O>>NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC(C)(O)C)COCC)OCC(=O)N2CCOCC2 | 5 |
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