smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)NC(O[C@]1(C(COC(C)=O)=O)[C@H](C[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@]3([C@H](C[C@]12C)O[Si](C)(C)C)F)=O)C)=O.CCCCCC.C(C)(=O)OCC.ClCCl.CO>CC#N.B(F)(F)F.CCOCC>C(C)NC(O[C@]1(C(COC(C)=O)=O)[C@H](C[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@]3([C@H](C[C@]12C)O)F)=O)C)=O | 3 |
FC1=CC=C(CBr)C=C1.CC1=NNC(=C1B1OC(C(O1)(C)C)(C)C)C>>FC1=CC=C(CN2N=C(C(=C2C)B2OC(C(O2)(C)C)(C)C)C)C=C1 | 5 |
ClCC(=O)OC(CCl)=O.C(CCC)NCCO>[N-]=[N+]=[N-].[Na+]>C(CCC)N(C(CCl)=O)CCN=[N+]=[N-] | 3 |
[CH:1](=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:9][N:10]([CH2:12][C:13]1[CH:31]=[CH:30][C:16](/[CH:17]=[N:18]/[C:19]2[CH:27]=[C:26]([F:28])[CH:25]=[C:24]3[C:20]=2[CH2:21][O:22][C:23]3=[O:29])=[CH:15][CH:14]=1)[CH3:11].[O-:32][CH2:33][CH3:34].[Na+].C(O)C>C(OCC)(=O)CC>[CH3:9][N:10]([CH2:12][C:13]1[CH:31]=[CH:30][C:16]([CH:17]2[CH:1]([C:2]3[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=3)[C:33](=[O:32])[C:34]3[C:24]([C:23]([O:22][CH2:21][CH3:20])=[O:29])=[CH:25][C:26]([F:28])=[CH:27][C:19]=3[NH:18]2)=[CH:15][CH:14]=1)[CH3:11] | 1 |
CC1(NC[C@H](C1)C)C.ClC1=NC(=CC=C1C(=O)NS(=O)(=O)C1=C(C=C(C=C1)OC)C)N1N=C(C=C1)OCC1(CC1)C(F)(F)F>C([O-])([O-])=O.[K+].[K+].CS(=O)C>COC1=CC(=C(C=C1)S(=O)(=O)NC(=O)C=1C(=NC(=CC1)N1N=C(C=C1)OCC1(CC1)C(F)(F)F)N1C(C[C@@H](C1)C)(C)C)C | 3 |
C(C)S(=O)(=O)CCN1N=CC2=C(C=CC=C12)[N+](=O)[O-]>CO[H].[HH].[Pd]>C(C)S(=O)(=O)CCN1N=CC=2C(=CC=CC12)N | 3 |
O=C1NC(CCC1C1=NN(C2=C(C=CC=C12)N1CCN(CC1)C[C@H]1[C@@H](CN(CC1)C(=O)OC(C)(C)C)F)C)=O>C(C)OCC.ClCCl.C(=O)(C(F)(F)F)O>F[C@@H]1CNCC[C@H]1CN1CCN(CC1)C=1C=CC=C2C(=NN(C12)C)C1C(NC(CC1)=O)=O | 3 |
NC1=NNC(=C1)C.ClC1=NC(=CC(=N1)Cl)Cl>CCN(CC)CC.CCO[H]>ClC1=NC(=CC(=N1)NC1=NNC(=C1)C)Cl | 3 |
FC=1C=C(C=CC1F)S(=O)(=O)Cl>>FC=1C=C(C=CC1F)S(=O)O | 5 |
[CH2:1]([CH:3]([C:6]1[C:7]2[N:8]([C:13]([C:17]3[S:18][CH:19]=[CH:20][C:21]=3[O:22][CH3:23])=[C:14]([CH3:16])[N:15]=2)[N:9]=[C:10]([CH3:12])[CH:11]=1)[CH2:4][CH3:5])[CH3:2].C1C(=O)N([Br:31])C(=O)C1>C(Cl)Cl>[Br:31][C:19]1[S:18][C:17]([C:13]2[N:8]3[N:9]=[C:10]([CH3:12])[CH:11]=[C:6]([CH:3]([CH2:4][CH3:5])[CH2:1][CH3:2])[C:7]3=[N:15][C:14]=2[CH3:16])=[C:21]([O:22][CH3:23])[CH:20]=1 | 1 |
[NH2:1][C:2]1[N:6]([C:7]2[CH:8]=[C:9]([CH:16]=[CH:17][C:18]=2[CH3:19])[C:10]([NH:12][CH:13]2[CH2:15][CH2:14]2)=[O:11])[N:5]=[CH:4][C:3]=1[C:20](=[O:29])C1C=CC=CC=1OC.[Li+].[OH-:31].Cl>O.C(O)C>[NH2:1][C:2]1[N:6]([C:7]2[CH:8]=[C:9]([C:10](=[O:11])[NH:12][CH:13]3[CH2:14][CH2:15]3)[CH:16]=[CH:17][C:18]=2[CH3:19])[N:5]=[CH:4][C:3]=1[C:20]([OH:29])=[O:31] | 1 |
FC1=C(C=CC(=C1)[N+](=O)[O-])O.ClC1=NC=NN2C1=CC(=C2)C2=CC(=NC=C2)N2CCOCC2>CC#N.N12CCN(CC1)CC2>FC1=C(OC2=NC=NN3C2=CC(=C3)C3=CC(=NC=C3)N3CCOCC3)C=CC(=C1)[N+](=O)[O-] | 3 |
C1COCCN1.ClC1=CC(=C(C=O)C=C1F)F>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>ClC1=CC(=C(CN2CCOCC2)C=C1F)F | 3 |
CS(=O)(=O)C1=CC=C(C=N1)C1=CCC(CC1)OCC1CCN(CC1)C(=O)OC(C)(C)C>CCO[H].[HH].[Pd]>CS(=O)(=O)C1=CC=C(C=N1)C1CCC(CC1)OCC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(=O)C=1C=CC(=C(C(=O)NC=2C=NC=CC2)C1)OCC1=CC=CC=C1>>C1(=CC=CC=C1)COC1=C(C(=O)NC=2C=NC=CC2)C=C(C=C1)CN1CCCC1 | 5 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.NC1=NC=C(C=C1)Br.COC(C1=C(C=NC=C1)N)=O>ClCCl.C(C)(C)N(C(C)C)CC>BrC=1C=CC(=NC1)NC(=O)NC1=C(C(=O)OC)C=CN=C1 | 3 |
C(OC)(OC)OC.ClC1=CC2=C(N=C(N=C2NN)N2CCN(CC2)C)N=C1>>ClC1=CC=2C=3N(C(=NC2N=C1)N1CCN(CC1)C)C=NN3 | 3 |
N(=[N+]=[N-])[Si](C)(C)C.OC(CO[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=C(N2)C)(C)C>C1(=CC=CC=C1)C.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[Sn](CCCC)=O>OC(CO[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)CCC)N=C(N2)C)(C)C | 3 |
C1(CC1)NC(C1=CC(=C(C=C1)C)C1=CC=C2C(=NC(NC2=C1)=O)C1=CC=CC=C1)=O>C(C)(=O)O.C(=O)N>C1(CC1)NC(C1=CC(=C(C=C1)C)C1=CC=C2C(=NC=NC2=C1)C1=CC=CC=C1)=O | 3 |
Br[C:2]1[C:3]2[S:9][CH:8]=[C:7]([Br:10])[C:4]=2[S:5][CH:6]=1.[C:11]([O:15][C:16]([N:18]1[C:22]([Sn](CCCC)(CCCC)CCCC)=[CH:21][N:20]=[C:19]1[C@@H:36]1[CH2:40][CH2:39][CH2:38][N:37]1[C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])=[O:17])([CH3:14])([CH3:13])[CH3:12].C(OC(N1CCC[C@H]1C1NC(C2SC3C=C(C4C=CC(C5NC([C@@H]6CCCN6C(=O)[C@@H](NC(OC)=O)C(C)C)=NC=5)=CC=4)SC=3C=2)=CN=1)=O)(C)(C)C>>[C:11]([O:15][C:16]([N:18]1[CH:22]=[C:21]([C:2]2[C:3]3[S:9][CH:8]=[C:7]([Br:10])[C:4]=3[S:5][CH:6]=2)[N:20]=[C:19]1[C@@H:36]1[CH2:40][CH2:39][CH2:38][N:37]1[C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])=[O:17])([CH3:14])([CH3:13])[CH3:12] | 1 |
[CH3:1][O:2][C:3]1[CH:22]=[CH:21][C:6]([CH2:7][C@@H:8]2[C:12]3=[N:13][C:14]4[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=4[N:11]3[C:10](=[O:20])[NH:9]2)=[CH:5][CH:4]=1.[NH2:23][CH2:24][C:25]1[CH:30]=[CH:29][C:28]([CH2:31][N:32]([CH3:34])[CH3:33])=[CH:27][CH:26]=1.C(O)(C(F)(F)F)=O>>[NH:13]1[C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=2[N:11]=[C:12]1[C@H:8]([NH:9][C:10]([NH:23][CH2:24][C:25]1[CH:30]=[CH:29][C:28]([CH2:31][N:32]([CH3:34])[CH3:33])=[CH:27][CH:26]=1)=[O:20])[CH2:7][C:6]1[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:22][CH:21]=1 | 2 |
C1(=CC=CC=C1)COC(=O)NCCCC1=CC=C(C=C1)CCCNC(=O)OCC1=CC=CC=C1>[HH].C(C)(=O)O.[Pt](=O)=O>CC(=O)CC(=O)O.NCCCC1CCC(CC1)CCCN | 3 |
CC1=C(NC=N1)C=CC(=O)Cl>>CC1=C(NC=N1)CCC(=O)Cl | 5 |
Cl[C:2]1[N:7]=[CH:6][C:5]([CH2:8][N:9]2[C:14]3[N:15]=[CH:16][CH:17]=[CH:18][C:13]=3[C:12](=S)[C:11]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[N:10]2)=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+].C[C:32]1[CH:37]=[CH:36][C:35](B(O)O)=[CH:34][N:33]=1.[C:41](=O)(O)[O-].[Na+].[OH2:46]>O1CCCC1.[Cu]Cl.CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C>[CH3:41][C:6]1[N:7]=[C:2]([C:37]2[CH:32]=[N:33][CH:34]=[CH:35][CH:36]=2)[CH:3]=[CH:4][C:5]=1[CH2:8][N:9]1[C:14]2[N:15]=[CH:16][CH:17]=[CH:18][C:13]=2[C:12](=[O:46])[C:11]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[N:10]1 | 1 |
[CH2:1]([C:5]1[N:10]=[C:9](Cl)[C:8]([CH3:12])=[C:7]([CH3:13])[N:6]=1)[CH2:2][CH2:3][CH3:4].[NH3:14]>>[NH2:14][C:9]1[C:8]([CH3:12])=[C:7]([CH3:13])[N:6]=[C:5]([CH2:1][CH2:2][CH2:3][CH3:4])[N:10]=1 | 1 |
CC=1C=C(C(=O)C2=CC=CC=C2)C=CC1>>BrCC=1C=C(C(=O)C2=CC=CC=C2)C=CC1 | 5 |
BrCCCCN1C(C=2C(C1=O)=CC=CC2)=O.CC=1C(=NC=CC1)C1NC(CC(C1)(O)C)C1=NC=CC=C1C>>OC1(CC(N(C(C1)C1=NC=CC=C1C)CCCCN1C(C2=CC=CC=C2C1=O)=O)C1=NC=CC=C1C)C | 5 |
[Cl:1][CH2:2][CH2:3][C:4]1[C:9](=[O:10])[N:8]2[CH:11]=[CH:12][CH:13]=[C:14]([O:15]CC3C=CC=CC=3)[C:7]2=[N:6][C:5]=1[CH3:23].Cl.[H][H]>O.[Pd]>[Cl:1][CH2:2][CH2:3][C:4]1[C:9](=[O:10])[N:8]2[CH2:11][CH2:12][CH2:13][CH:14]([OH:15])[C:7]2=[N:6][C:5]=1[CH3:23] | 2 |
CC1=C(C=CC(=N1)C#N)[N+](=O)[O-]>>CC1=C(C=CC(=N1)C(=O)O)[N+](=O)[O-] | 5 |
C([Li])CCC.Br[C:7]1[CH:8]=[N:9][CH:10]=[CH:11][CH:12]=1.[CH2:13]([CH2:20][NH:21][CH2:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][C:24]1=[O:29])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[Cl:30][Si](C)(C)C>C(OCC)C.C(OCC)(=O)C.CC(C)=O.O>[ClH:30].[CH2:13]([CH2:20][NH:21][CH2:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][C:24]1([C:7]1[CH:8]=[N:9][CH:10]=[CH:11][CH:12]=1)[OH:29])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
ClC=1C=C(C=CC1)C=1C=C(C(=NC1)C#N)Cl>CCO[H].[OH-].[Na+]>ClC=1C(=NC=C(C1)C1=CC(=CC=C1)Cl)C(=O)O | 3 |
[C:1]([O:9][CH2:10][C@:11]1([CH3:17])[CH2:15][CH:14]([OH:16])[CH2:13][O:12]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1C=C[NH+]=CC=1.[O-][Cr](Cl)(=O)=O>C(Cl)Cl.CCCCCC>[C:1]([O:9][CH2:10][C@:11]1([CH3:17])[CH2:15][C:14](=[O:16])[CH2:13][O:12]1)(=[O:8])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
[C:1]1(=[N:6][NH:7][C:8]2[CH:17]=[CH:16][C:11]([C:12]([O:14][CH3:15])=[O:13])=[C:10]([S:18](=[O:21])(=[O:20])[NH2:19])[CH:9]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:22][O:23][C:24]1[CH:29]=[C:28]([O:30][CH3:31])[N:27]=[C:26]([NH:32][C:33](=O)[O:34]C2C=CC=CC=2)[N:25]=1.N12CCCN=C1CCCCC2.Cl>O.C(#N)C>[C:1]1(=[N:6][NH:7][C:8]2[CH:17]=[CH:16][C:11]([C:12]([O:14][CH3:15])=[O:13])=[C:10]([S:18]([NH:19][C:33]([NH:32][C:26]3[N:25]=[C:24]([O:23][CH3:22])[CH:29]=[C:28]([O:30][CH3:31])[N:27]=3)=[O:34])(=[O:20])=[O:21])[CH:9]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
FC1=CC=C(C=C1)S(=O)(=O)Cl>ClCCl.CNC>FC1=CC=C(C=C1)S(=O)(=O)N(C)C | 3 |
FC1=C(OC2=CC=C(C=C2)I)C=CC=C1>>FC1=C(OC2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C)C=CC=C1 | 5 |
C1(O[C:8](=[O:30])[NH:9][C:10]2[S:14][N:13]=[C:12]([O:15][CH2:16][C:17]3[C:22]([F:23])=[CH:21][C:20]([CH3:24])=[C:19]([F:25])[C:18]=3[F:26])[C:11]=2[C:27](=[O:29])[NH2:28])C=CC=CC=1.[NH2:31][CH2:32][CH2:33][CH:34]([OH:42])[CH2:35][CH2:36][N:37]1[CH2:41][CH2:40][CH2:39][CH2:38]1>>[OH:42][CH:34]([CH2:35][CH2:36][N:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1)[CH2:33][CH2:32][NH:31][C:8](=[O:30])[NH:9][C:10]1[S:14][N:13]=[C:12]([O:15][CH2:16][C:17]2[C:22]([F:23])=[CH:21][C:20]([CH3:24])=[C:19]([F:25])[C:18]=2[F:26])[C:11]=1[C:27]([NH2:28])=[O:29] | 1 |
C(OC(=O)[NH:7][C:8]1([CH2:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([O:24][CH2:25][CH2:26][CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[C:30]([Cl:34])[CH:29]=3)=[C:20]([C:35]([F:38])([F:37])[F:36])[CH:19]=2)[CH2:13][O:12]C(C)(C)[O:10][CH2:9]1)(C)(C)C.Cl>C(O)C>[ClH:34].[NH2:7][C:8]([CH2:16][CH2:17][C:18]1[CH:23]=[CH:22][C:21]([O:24][CH2:25][CH2:26][CH2:27][C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([Cl:34])[CH:29]=2)=[C:20]([C:35]([F:38])([F:36])[F:37])[CH:19]=1)([CH2:13][OH:12])[CH2:9][OH:10] | 1 |
[CH:1]1[C:14]2[C:5](=[CH:6][C:7]3[C:12]([C:13]=2[N:15]2[CH:19]=[CH:18][NH:17][CH2:16]2)=[CH:11][CH:10]=[CH:9][CH:8]=3)[CH:4]=[CH:3][CH:2]=1.[Br:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32]>C(Cl)Cl>[Br-:20].[CH:1]1[C:14]2[C:5](=[CH:6][C:7]3[C:12]([C:13]=2[N:15]2[CH:19]=[CH:18][NH+:17]([CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH3:21])[CH2:16]2)=[CH:11][CH:10]=[CH:9][CH:8]=3)[CH:4]=[CH:3][CH:2]=1 | 2 |
COC(C=1C(C(=O)OC)=CC(=C(C1)CBr)CBr)=O.OC=1C=C(C(C#N)=CC1O)C#N>>COC(=O)C1=CC2=C(COC3=C(OC2)C=C(C(=C3)C#N)C#N)C=C1C(=O)OC | 5 |
N1(C=NC=C1)CCO.FC(CN=C(NC1=NC(=NC=C1)S(=O)C)N)(F)F>[H-].[Na+].CC(C)(C)O>FC(CN=C(NC1=NC(=NC=C1)OCCN1C=NC=C1)N)(F)F | 3 |
[O:1]=[C:2]1[CH:10]2[CH:5]([CH2:6][CH2:7][CH2:8][CH2:9]2)[C:4](=[O:11])[N:3]1[C:12]1[CH:17]=[CH:16][C:15]([CH2:18][C:19]([OH:21])=[O:20])=[CH:14][CH:13]=1.[BH4-].[Na+].Cl>CS(C)=O>[OH:11][CH:4]1[CH:5]2[CH:10]([CH2:9][CH2:8][CH2:7][CH2:6]2)[C:2](=[O:1])[N:3]1[C:12]1[CH:13]=[CH:14][C:15]([CH2:18][C:19]([OH:21])=[O:20])=[CH:16][CH:17]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]=[C:10]([NH:17][C:18](=[S:27])[NH:19][CH2:20][C:21]2[CH:22]=[N:23][CH:24]=[CH:25][CH:26]=2)[C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=[CH:5][CH:4]=1.[Br:28]Br>>[BrH:28].[BrH:28].[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:10]([C:11]3[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=3)=[N:17][C:18](=[N:19][CH2:20][C:21]3[CH:22]=[N:23][CH:24]=[CH:25][CH:26]=3)[S:27]2)=[CH:5][CH:4]=1 | 2 |
CN(C)CCCN=C=NCC.[CH3:12][C:13]1[CH:30]=[CH:29][C:16]([C:17]([NH:19][C:20]2[CH:28]=[CH:27][C:23]([C:24](O)=[O:25])=[CH:22][CH:21]=2)=[O:18])=[C:15]([N:31]2[CH2:36][CH2:35][CH:34]([CH3:37])[CH2:33][CH2:32]2)[CH:14]=1.[NH2:38][C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][N:40]=1.ON1C2C=CC=CC=2N=N1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C1C=CN=CC=1.O1CCCC1.O.C(OCC)(=O)C>[CH3:12][C:13]1[CH:30]=[CH:29][C:16]([C:17]([NH:19][C:20]2[CH:21]=[CH:22][C:23]([C:24]([NH:38][C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][N:40]=3)=[O:25])=[CH:27][CH:28]=2)=[O:18])=[C:15]([N:31]2[CH2:32][CH2:33][CH:34]([CH3:37])[CH2:35][CH2:36]2)[CH:14]=1 | 2 |
CO[H].C(C)(=O)N1C(C2=CC=C(C(=C2CC1)Br)F)CC(=O)OC>S(O)(O)(=O)=O>BrC1=C2CCNC(C2=CC=C1F)CC(=O)OC | 3 |
C(C)OP(=O)(OCC)CC(=O)O.NC(CCC)C1=CC=C(OCCOCCOCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1>>C(C)OP(=O)(OCC)CC(=O)NC(CCC)C1=CC=C(OCCOCCOCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1 | 5 |
CS(O[CH2:6][C:7]1[N:8]=[N:9][C:10]([C:13]2[C:18]([F:19])=[CH:17][C:16]([O:20][CH:21]3[CH2:26][CH2:25][O:24][CH2:23][CH2:22]3)=[CH:15][C:14]=2[F:27])=[CH:11][CH:12]=1)(=O)=O.[N-:28]=[N+:29]=[N-:30].[Na+].O>CN(C=O)C>[N:28]([CH2:6][C:7]1[N:8]=[N:9][C:10]([C:13]2[C:18]([F:19])=[CH:17][C:16]([O:20][CH:21]3[CH2:26][CH2:25][O:24][CH2:23][CH2:22]3)=[CH:15][C:14]=2[F:27])=[CH:11][CH:12]=1)=[N+:29]=[N-:30] | 2 |
C(#N)C1=NC=C(C(=O)O)C=C1.CNC(NN)=S>N(C)(C)C=O.Cl.[OH-].[Na+].C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>CN1C(=NN=C1S)C=1C=CC(=NC1)C#N | 3 |
CC1(OB(OC1(C)C)C=1C=NNC1)C.BrC(C(=O)NC)(C)C>N(C)(C)C=O.[H-].[Na+]>CNC(C(C)(N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C)C)=O | 3 |
C1(O[C:8](=[O:27])[NH:9][C:10]2[CH:15]=[C:14]([C:16]([CH3:19])([CH3:18])[CH3:17])[CH:13]=[C:12]([NH:20][S:21]([CH3:24])(=[O:23])=[O:22])[C:11]=2[O:25][CH3:26])C=CC=CC=1.[CH3:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][C:51]1[CH:52]=[C:53]([NH:59][C:60]2[CH:65]=[C:64]([O:66][C:67]3[C:76]4[C:71](=[CH:72][CH:73]=[CH:74][CH:75]=4)[C:70]([NH2:77])=[CH:69][CH:68]=3)[CH:63]=[CH:62][N:61]=2)[CH:54]=[C:55]([O:57][CH3:58])[CH:56]=1.CCN(CC)CC>C(OC(C)=O)(C)C.CO>[CH3:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH2:48][CH2:49][O:50][C:51]1[CH:52]=[C:53]([NH:59][C:60]2[CH:65]=[C:64]([O:66][C:67]3[C:76]4[C:71](=[CH:72][CH:73]=[CH:74][CH:75]=4)[C:70]([NH:77][C:8](=[O:27])[NH:9][C:10]4[C:11]([O:25][CH3:26])=[C:12]([NH:20][S:21]([CH3:24])(=[O:22])=[O:23])[CH:13]=[C:14]([C:16]([CH3:17])([CH3:19])[CH3:18])[CH:15]=4)=[CH:69][CH:68]=3)[CH:63]=[CH:62][N:61]=2)[CH:54]=[C:55]([O:57][CH3:58])[CH:56]=1 | 2 |
FC(CCCO)(F)F>ClCCl.Cl[O-].[Na+].CC1(N(C(CCC1)(C)C)[O])C.C(O)([O-])=O.[Na+].[K+].[Br-]>FC(CCC=O)(F)F | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].Br[CH2:16][CH2:17][CH2:18][C:19]([O:21][CH2:22][CH3:23])=[O:20]>C(O)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[I-]>[OH:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:16][CH2:17][CH2:18][C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:4][CH:3]=1 | 1 |
[NH2:1][C:2]([CH3:19])([CH2:5][N:6]1[C:14]([O:15][CH3:16])=[C:13]2[C:8]([C:9]([Cl:18])=[CH:10][C:11]([Cl:17])=[CH:12]2)=[N:7]1)[C:3]#[N:4].[F:20][C:21]([F:32])([F:31])[C:22]1[CH:30]=[CH:29][C:25]([C:26](Cl)=[S:27])=[CH:24][CH:23]=1>>[C:3]([C:2]([NH:1][C:26](=[S:27])[C:25]1[CH:24]=[CH:23][C:22]([C:21]([F:20])([F:31])[F:32])=[CH:30][CH:29]=1)([CH3:19])[CH2:5][N:6]1[C:14]([O:15][CH3:16])=[C:13]2[C:8]([C:9]([Cl:18])=[CH:10][C:11]([Cl:17])=[CH:12]2)=[N:7]1)#[N:4] | 1 |
[Cl:1][C:2]1[C:3]([CH2:8][NH:9][C:10]([N:12]2[CH2:17][CH2:16][N:15]([CH3:18])[CH2:14][CH2:13]2)=O)=[N:4][CH:5]=[CH:6][N:7]=1.P(Cl)(Cl)(Cl)=O>C(#N)C>[Cl:1][C:2]1[C:3]2[N:4]([C:10]([N:12]3[CH2:17][CH2:16][N:15]([CH3:18])[CH2:14][CH2:13]3)=[N:9][CH:8]=2)[CH:5]=[CH:6][N:7]=1 | 1 |
Br[CH2:2][C:3]1[N:8]([CH2:9][CH2:10][C:11]2[CH:23]=[CH:22][C:14]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])=[CH:13][CH:12]=2)[C:7](=[O:24])[C:6]([Cl:25])=[CH:5][C:4]=1[Cl:26].[C:27]([O-:30])(=[O:29])[CH3:28].[Na+].[Cl-].[NH4+].C(OCC)(=O)C>CC(C)=O>[C:27]([O:30][CH2:2][C:3]1[N:8]([CH2:9][CH2:10][C:11]2[CH:23]=[CH:22][C:14]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])=[CH:13][CH:12]=2)[C:7](=[O:24])[C:6]([Cl:25])=[CH:5][C:4]=1[Cl:26])(=[O:29])[CH3:28] | 2 |
ClCC=O.NC1=C(C(=O)O)C=CC=N1>CCO[H]>N=1C=CN2C1C(=CC=C2)C(=O)O | 3 |
C[O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:18]=[CH:17][C:16]3[C:11](=[CH:12][CH:13]=[C:14]([C:19]([OH:21])=[O:20])[CH:15]=3)[CH:10]=2)=[CH:5][CH:4]=1.C(O)(=O)C.C(OC(=O)C)(=O)C.Br>O>[OH:2][C:3]1[CH:4]=[CH:5][C:6]([C:9]2[CH:18]=[CH:17][C:16]3[C:11](=[CH:12][CH:13]=[C:14]([C:19]([OH:21])=[O:20])[CH:15]=3)[CH:10]=2)=[CH:7][CH:8]=1 | 1 |
[CH3:1][N:2]([CH3:23])[S:3]([C:6]1[CH:12]=[C:11]([N+:13]([O-])=O)[C:9]([NH2:10])=[CH:8][C:7]=1[N:16]1[CH:21]=[CH:20][C:19](=[O:22])[CH:18]=[CH:17]1)(=[O:5])=[O:4].O.Cl>[Fe].C(O)C>[CH3:1][N:2]([CH3:23])[S:3]([C:6]1[C:7]([N:16]2[CH:17]=[CH:18][C:19](=[O:22])[CH:20]=[CH:21]2)=[CH:8][C:9]([NH2:10])=[C:11]([NH2:13])[CH:12]=1)(=[O:5])=[O:4] | 1 |
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C@H:8]2[CH2:13][CH2:12][C@H:11]([N:14]3[C:18]4=[N:19][CH:20]=[N:21][C:22]([NH2:23])=[C:17]4[C:16]([C:24]4[CH:29]=[CH:28][C:27]([O:30][C:31]5[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=5)=[CH:26][CH:25]=4)=[N:15]3)[CH2:10][CH2:9]2)[CH2:4][CH2:3]1.[C:37]([OH:44])(=[O:43])/[CH:38]=[CH:39]\[C:40]([OH:42])=[O:41]>C(O)C>[C:37]([OH:44])(=[O:43])/[CH:38]=[CH:39]\[C:40]([OH:42])=[O:41].[C:37]([OH:44])(=[O:43])/[CH:38]=[CH:39]\[C:40]([OH:42])=[O:41].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C@H:8]2[CH2:13][CH2:12][C@H:11]([N:14]3[C:18]4=[N:19][CH:20]=[N:21][C:22]([NH2:23])=[C:17]4[C:16]([C:24]4[CH:29]=[CH:28][C:27]([O:30][C:31]5[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=5)=[CH:26][CH:25]=4)=[N:15]3)[CH2:10][CH2:9]2)[CH2:6][CH2:7]1 | 1 |
BrC1=C(C=C(C=O)C=C1OC)OC.C=1(C(=CC=CC1)S(=O)(=O)C[N+]#[C-])C>C(C)OCC.CO[H]>BrC1=C(C=C(C=C1OC)C1=CN=CO1)OC | 3 |
FC(F)(F)C(O)=O.[CH3:8][C:9]([NH:26]C(=O)OC(C)(C)C)([CH3:25])[CH2:10][CH2:11][N:12]1[C:16]([CH3:17])=[N:15][C:14]([C:18]2[CH:23]=[CH:22][C:21]([CH3:24])=[CH:20][CH:19]=2)=[N:13]1>ClCCl>[CH3:25][C:9]([NH2:26])([CH3:8])[CH2:10][CH2:11][N:12]1[C:16]([CH3:17])=[N:15][C:14]([C:18]2[CH:19]=[CH:20][C:21]([CH3:24])=[CH:22][CH:23]=2)=[N:13]1 | 1 |
BrC1=CC=C(CNC(OC(C)(C)C)=O)C=C1.N1=C(C=C(C=C1)B(O)O)C>>CC1=NC=CC(=C1)C1=CC=C(CNC(OC(C)(C)C)=O)C=C1 | 5 |
FC1=C(C=C(C=C1)NC1=NC(=NC(=N1)NC1CCN(CC1)S(=O)(=O)C)OCC(F)(F)F)C(=O)N1CCOCC1>>FC1=C(C=C(C=C1)NC1=NC(=NC(=N1)NC1CCN(CC1)S(=O)(=O)C)OCC(F)(F)F)CN1CCOCC1 | 5 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C@H:8]([C:22]2[N:23]=[N:24][N:25]([CH2:27][Si](C)(C)C)[CH:26]=2)[NH:9][C:10](=[O:21])[CH2:11][C:12]2[CH:17]=[CH:16][C:15]([CH:18]([CH3:20])[CH3:19])=[CH:14][CH:13]=2)=[N:6][CH:7]=1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C1COCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C@H:8]([C:22]2[N:23]=[N:24][N:25]([CH3:27])[CH:26]=2)[NH:9][C:10](=[O:21])[CH2:11][C:12]2[CH:13]=[CH:14][C:15]([CH:18]([CH3:20])[CH3:19])=[CH:16][CH:17]=2)=[N:6][CH:7]=1 | 1 |
C(=C)OCC.CC=1C[C@@H](CC(C1C)(C)C)O>ClCCl.C(O)([O-])=O.[Na+].C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>C(C)OC(C)O[C@H]1CC(=C(C(C1)(C)C)C)C | 3 |
C(CC)NCC.FC=1C=C2C(=CNC2=CC1)C(C(=O)Cl)=O>C1CCCO1.ClCCl.C(C)(C)N(C(C)C)CC>C(C)N(C(C(=O)C1=CNC2=CC=C(C=C12)F)=O)CCC | 3 |
[Cl:1][CH2:2][CH2:3][C:4]1[C:9](=[O:10])[N:8]2[C:11]([CH3:16])=[CH:12][C:13]([CH3:15])=[CH:14][C:7]2=[N:6][C:5]=1[CH3:17].[C:18]1([CH3:30])[CH:23]=[CH:22][CH:21]=[C:20]([N:24]2[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]2)[CH:19]=1.[ClH:31]>C1(C)C=CC=CC=1>[ClH:1].[ClH:31].[C:18]1([CH3:30])[CH:23]=[CH:22][CH:21]=[C:20]([N:24]2[CH2:25][CH2:26][N:27]([CH2:2][CH2:3][C:4]3[C:9](=[O:10])[N:8]4[C:11]([CH3:16])=[CH:12][C:13]([CH3:15])=[CH:14][C:7]4=[N:6][C:5]=3[CH3:17])[CH2:28][CH2:29]2)[CH:19]=1 | 1 |
[C:1]([O:5][C:6]([CH2:8][O:9][N:10]=[C:11]([C:43]1[N:44]=[C:45]([NH:48]C=O)[S:46][CH:47]=1)[C:12]([NH:14][CH:15]1[C:41](=[O:42])[N:17]2[C:18]([C:25]([O:27][CH:28]([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)=[O:26])=[C:19](/[CH:22]=[CH:23]/[Cl:24])[CH2:20][S:21][C@H:16]12)=[O:13])=[O:7])([CH3:4])([CH3:3])[CH3:2].CO.Cl.C(=O)(O)[O-].[Na+]>O.O1CCCC1>[C:1]([O:5][C:6]([CH2:8][O:9][N:10]=[C:11]([C:43]1[N:44]=[C:45]([NH2:48])[S:46][CH:47]=1)[C:12]([NH:14][CH:15]1[C:41](=[O:42])[N:17]2[C:18]([C:25]([O:27][CH:28]([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[C:29]3[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=3)=[O:26])=[C:19](/[CH:22]=[CH:23]/[Cl:24])[CH2:20][S:21][C@H:16]12)=[O:13])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
COC(=O)C1=CC2=C(N=C(O2)C(CC)(CC)C2=CC(=C(C=C2)OCC2=CC=CC=C2)C)C=C1>>COC(=O)C1=CC2=C(N=C(O2)C(CC)(C2=CC(=C(C=C2)O)C)CC)C=C1 | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N-:11]Cl)(=[O:10])=[O:9])=[CH:4][CH:3]=1.O.O.O.[Na+].[CH3:17][S:18][C:19]1[CH:24]=[CH:23][C:22]([N+:25]([O-:27])=[O:26])=[CH:21][CH:20]=1>C(#N)C.C(OCC)(=O)C>[CH3:17][S:18]([C:19]1[CH:20]=[CH:21][C:22]([N+:25]([O-:27])=[O:26])=[CH:23][CH:24]=1)=[N:11][S:8]([C:5]1[CH:6]=[CH:7][C:2]([CH3:1])=[CH:3][CH:4]=1)(=[O:10])=[O:9] | 1 |
COC(=O)C1=CC=CC=2OC(COC21)C=2C=NC=C(C2)CO>>COC(=O)C1=CC=CC=2OC(COC21)C=2C=NC=C(C2)CBr | 5 |
[CH:1]1([C:4]([N:6]2[CH2:10][CH2:9][C@@H:8]([CH2:11][NH:12][C:13]3[CH:18]=[CH:17][CH:16]=[C:15]([CH3:19])[C:14]=3[N+:20]([O-])=O)[CH2:7]2)=[O:5])[CH2:3][CH2:2]1>CCO.[Pd]>[CH:1]1([C:4]([N:6]2[CH2:10][CH2:9][C@@H:8]([CH2:11][NH:12][C:13]3[C:14]([NH2:20])=[C:15]([CH3:19])[CH:16]=[CH:17][CH:18]=3)[CH2:7]2)=[O:5])[CH2:3][CH2:2]1 | 2 |
ClC1=NC(=NC(=N1)NC1CC2=CC=CC=C2C1)NCC1=CC=C(C(=O)OC)C=C1>>COC(C1=CC=C(C=C1)CNC1=NC(=NC(=N1)N)NC1CC2=CC=CC=C2C1)=O | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5](I)=[CH:4][C:3]=1[OH:9].[F:10][C:11]([F:22])([F:21])[C:12]1[CH:17]=[CH:16][C:15](B(O)O)=[CH:14][CH:13]=1.C([O-])([O-])=O.[Na+].[Na+].Cl>C1(C)C=CC=CC=1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:15]2[CH:16]=[CH:17][C:12]([C:11]([F:22])([F:21])[F:10])=[CH:13][CH:14]=2)=[CH:4][C:3]=1[OH:9] | 2 |
Cl[C:2]1[CH:7]=[C:6]([Cl:8])[N:5]=[C:4]([NH2:9])[N:3]=1.[Cl:10][C:11]1[CH:16]=[CH:15][C:14]([NH2:17])=[CH:13][CH:12]=1.C(N(CC)C(C)C)(C)C>C(O)C>[Cl:8][C:6]1[N:5]=[C:4]([NH2:9])[N:3]=[C:2]([NH:17][C:14]2[CH:15]=[CH:16][C:11]([Cl:10])=[CH:12][CH:13]=2)[CH:7]=1 | 2 |
ClC1=C(C=CC(=C1)[N+](=O)[O-])CC(=O)N(CC)CC>C1CCCO1.B.C1CCOC1>ClC1=C(C=CC(=C1)[N+](=O)[O-])CCN(CC)CC | 3 |
CC(C)([O-])C.[K+].[CH3:7][C:8]([CH3:18])([O:12][CH2:13][C:14](OC)=[O:15])[C:9](=[O:11])[CH3:10]>C(OCC)C>[CH3:7][C:8]1([CH3:18])[C:9](=[O:11])[CH2:10][C:14](=[O:15])[CH2:13][O:12]1 | 1 |
O=S1(N([C@H](CC1)\C=C\C(CC1=CC(=CC=C1)C(F)(F)F)=O)CCCC1=CC=C(S1)C(=O)OC)=O>>OC(/C=C/[C@@H]1N(S(CC1)(=O)=O)CCCC1=CC=C(S1)C(=O)OC)CC1=CC(=CC=C1)C(F)(F)F | 5 |
FC1=C(\C=C/[C@@H]2N(C(OC2)(C)C)C(=O)OC(C)(C)C)C(=CC=C1)[N+](=O)[O-]>>NC1=C(CC[C@@H]2N(C(OC2)(C)C)C(=O)OC(C)(C)C)C(=CC=C1)F | 5 |
[F:1][C:2]1[CH:3]=[C:4]([CH:13]=[CH:14][C:15]=1I)[O:5][CH2:6][CH2:7][N:8]1[CH2:12][CH2:11][CH2:10][CH2:9]1.[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]2[CH:25]=[CH:26][C:27]([C:30]#[CH:31])=[N:28][CH:29]=2)=[CH:20][CH:19]=1>>[Cl:17][C:18]1[CH:19]=[CH:20][C:21]([C:24]2[CH:25]=[CH:26][C:27]([C:30]#[C:31][C:15]3[CH:14]=[CH:13][C:4]([O:5][CH2:6][CH2:7][N:8]4[CH2:12][CH2:11][CH2:10][CH2:9]4)=[CH:3][C:2]=3[F:1])=[N:28][CH:29]=2)=[CH:22][CH:23]=1 | 1 |
C[O:2][C:3](=[O:21])[CH2:4][NH:5][CH2:6][C:7]1[CH:12]=[C:11]([C:13]([CH3:16])([CH3:15])[CH3:14])[CH:10]=[C:9]([C:17]([CH3:20])([CH3:19])[CH3:18])[CH:8]=1.[OH-].[Na+]>CO>[C:17]([C:9]1[CH:8]=[C:7]([CH2:6][NH:5][CH2:4][C:3]([OH:21])=[O:2])[CH:12]=[C:11]([C:13]([CH3:15])([CH3:16])[CH3:14])[CH:10]=1)([CH3:18])([CH3:19])[CH3:20] | 2 |
[C:1]([C:4]1[C:9](=[O:10])[C:8]([O:11][CH3:12])=[CH:7][N:6]([C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH:23]=[CH:22][CH:21]=[N:20]3)=[CH:15][C:14]=2[F:24])[N:5]=1)(=[O:3])[CH3:2].CO[CH:27](OC)[N:28]([CH3:30])[CH3:29]>C(#N)C>[CH3:27][N:28]([CH3:30])[CH:29]=[CH:2][C:1]([C:4]1[C:9](=[O:10])[C:8]([O:11][CH3:12])=[CH:7][N:6]([C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH:23]=[CH:22][CH:21]=[N:20]3)=[CH:15][C:14]=2[F:24])[N:5]=1)=[O:3] | 1 |
[C:1](Cl)(=O)[C:2]([Cl:4])=[O:3].[CH2:7]([N:14]1[C:22]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)C(C(O)=O)=[CH:15]1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1>C(Cl)Cl>[CH2:7]([N:14]1[C:22]2[C:21](=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:1]([C:2]([Cl:4])=[O:3])=[CH:15]1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1 | 1 |
O=C1N(N=C(O1)[C@@H]1[C@@H](C1)C(=O)O)C1=CC=CC=C1>N(C)(C)C=O.[B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N>C1(=CC=CC=C1)N1C(OC(=N1)[C@H]1[C@H](C1)C(=O)N1CCCCC1)=O | 3 |
[C:1]([CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][C:8]([C:17]#[N:18])([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH2:7][CH2:6]1)#[N:2].[CH3:19][Si]([N-][Si](C)(C)C)(C)C.[Li+].CI>O1CCCC1.C(OCC)C>[C:1]([CH:3]([CH3:19])[CH2:4][N:5]1[CH2:10][CH2:9][C:8]([C:17]#[N:18])([C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)[CH2:7][CH2:6]1)#[N:2] | 1 |
FC(F)(F)C(O)=O.C([O:12][C:13]([CH2:15][O:16][N:17]=[C:18]([C:35]1[N:39]=[CH:38][S:37][N:36]=1)[C:19]([NH:21][CH:22]1[C:33](=[O:34])[N:24]2[C:25]([C:30]([OH:32])=[O:31])=[C:26]([Cl:29])[CH2:27][S:28][C@H:23]12)=[O:20])=[O:14])(C)(C)C.C(OC(C)C)(C)C.CCCCCC>C(Cl)Cl.C1(OC)C=CC=CC=1>[C:13]([CH2:15][O:16][N:17]=[C:18]([C:35]1[N:39]=[CH:38][S:37][N:36]=1)[C:19]([NH:21][CH:22]1[C:33](=[O:34])[N:24]2[C:25]([C:30]([OH:32])=[O:31])=[C:26]([Cl:29])[CH2:27][S:28][C@H:23]12)=[O:20])([OH:14])=[O:12] | 1 |
FC1=CC(=C(C=C1)S(=O)(=O)NC=1C=CC=C2C=CC=NC12)[N+](=O)[O-]>CNC>CN(C1=CC(=C(C=C1)S(=O)(=O)NC=1C=CC=C2C=CC=NC12)[N+](=O)[O-])C | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]=[CH:9][C:10]1[N:11]([CH2:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH3:22])[CH:12]=[CH:13][CH:14]=1.[C:23]1(=[O:29])[NH:27][C:26](=[O:28])[CH:25]=[CH:24]1>C(OCC)(=O)C>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]1[CH2:9][C:10]2[N:11]([CH2:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][O:21][CH3:22])[CH:12]=[CH:13][C:14]=2[CH:24]2[CH:25]1[C:26](=[O:28])[NH:27][C:23]2=[O:29] | 2 |
N(=[N+]=[N-])C(CC1=CC(=CC=C1)OC)(C)C>[HH].C(C)(=O)OCC.[Pd]>COC=1C=C(C=CC1)CC(C)(N)C | 3 |
OC1=CC=C(C(=O)N)C=C1.C(C1=CC=CC=C1)N1CC2OC2C1>>O[C@H]1[C@@H](CN(C1)CC1=CC=CC=C1)OC1=CC=C(C(=O)N)C=C1 | 3 |
C([O:3][C:4](=O)[CH:5]([CH3:11])[C:6](=O)[CH2:7][O:8][CH3:9])C.C(O)(=O)C.[CH:17]([NH2:19])=[NH:18].C[O-].[Na+].[Na].Cl>CO.O>[CH3:9][O:8][CH2:7][C:6]1[C:5]([CH3:11])=[C:4]([OH:3])[N:19]=[CH:17][N:18]=1 | 1 |
Cl[C:2]1[CH:7]=[N:6][CH:5]=[C:4]([C:8]2[CH:13]=[CH:12][C:11]([S:14]([CH:17]([CH3:19])[CH3:18])(=[O:16])=[O:15])=[CH:10][CH:9]=2)[N:3]=1.CCN(CC)CC.[Si:27]([C:31]#[CH:32])([CH3:30])([CH3:29])[CH3:28]>C1(C)C=CC=CC=1.CCOC(C)=O.O.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I>[CH:17]([S:14]([C:11]1[CH:12]=[CH:13][C:8]([C:4]2[CH:5]=[N:6][CH:7]=[C:2]([C:32]#[C:31][Si:27]([CH3:30])([CH3:29])[CH3:28])[N:3]=2)=[CH:9][CH:10]=1)(=[O:16])=[O:15])([CH3:19])[CH3:18] | 1 |
[OH-].[K+].[CH:3]12[N:10]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH:7]([CH2:8][CH2:9]1)[CH2:6][CH2:5][CH:4]2[C:18]([O:20]C)=[O:19].Cl>CO.O>[C:14]([O:13][C:11]([N:10]1[CH:7]2[CH2:8][CH2:9][CH:3]1[CH:4]([C:18]([OH:20])=[O:19])[CH2:5][CH2:6]2)=[O:12])([CH3:17])([CH3:15])[CH3:16] | 1 |
CI.ClC=1N=CC=C2C1NC(=C2)C(=O)OC>N(C)(C)C=O.[H-].[Na+]>ClC=1N=CC=C2C1N(C(=C2)C(=O)O)C | 3 |
ClC1=CC=C(S1)C(=O)NC1=C2C(N(C(C2=CC=C1)OC)CCC1CCN(CC1)C(=O)OC(C)(C)C)=O>>ClC1=CC=C(S1)C(=O)NC1=C2C(N(CC2=CC=C1)CCC1CCNCC1)=O | 5 |
O1CCN(CC1)CCCOC=1N=C(C2=C(N1)CNCC2)N2CCN(CC2)C(=O)OC(C)(C)C>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].CC(C)(C)[O-].[Na+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1>FC1=C(C2=CC=CC=C2C=C1OC)N1CC=2N=C(N=C(C2CC1)N1CCN(CC1)C(=O)OC(C)(C)C)OCCCN1CCOCC1 | 3 |
ClC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)NC1=CC=C(C(=O)C2CN(CCC2)C(=O)OC(C)(C)C)C=C1>>Cl.ClC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)C(=O)C1CNCCC1 | 5 |
NN.[C:3]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])(=[O:8])[CH2:4][C:5]([O-:7])=O.[OH2:14].O[N:16]1[C:20]2[CH:21]=CC=CC=2N=[N:17]1.[CH2:25]([N:27]([CH2:30][CH3:31])[CH2:28][CH3:29])[CH3:26].Cl.CN(C)[CH2:35][CH2:36][CH2:37][N:38]=C=NCC>ClCCl>[C:10]([O:9][C:3](=[O:8])[CH2:4][C:5](=[O:7])[NH:17][NH:16][C:20]([CH:21]1[CH2:29][CH2:28][N:27]([C:30]2[CH:31]=[CH:35][CH:36]=[CH:37][N:38]=2)[CH2:25][CH2:26]1)=[O:14])([CH3:13])([CH3:12])[CH3:11] | 1 |
BrC=1[C@@H](OB2OC(C=3COC=CC1C23)(C)C)CNC(OC(C)(C)C)=O>>Cl.ClC=1[C@@H](OB2OCC=3COC=CC1C23)CN | 5 |
BrC1=C(C=CC=C1)[N+](=O)[O-].O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+].COC=1C=C(C=CC1OC)OB(O)O>>COC=1C=C(C=CC1OC)C1=C(C=CC=C1)[N+](=O)[O-] | 5 |
C(O[C:6]([C:8]1[N:9]=[C:10]([C:29]#[N:30])[C:11]2[C:16]([C:17]=1[OH:18])=[CH:15][C:14]([O:19][C:20]1[C:25]([CH3:26])=[CH:24][C:23]([CH3:27])=[CH:22][C:21]=1[CH3:28])=[CH:13][CH:12]=2)=[O:7])CCC.[NH2:31][CH2:32][C:33]([OH:35])=[O:34]>>[C:29]([C:10]1[C:11]2[C:16](=[CH:15][C:14]([O:19][C:20]3[C:21]([CH3:28])=[CH:22][C:23]([CH3:27])=[CH:24][C:25]=3[CH3:26])=[CH:13][CH:12]=2)[C:17]([OH:18])=[C:8]([C:6]([NH:31][CH2:32][C:33]([OH:35])=[O:34])=[O:7])[N:9]=1)#[N:30] | 1 |
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