smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC1=C(C=CC(=C1)OC)CN.C(C)(=O)C1CN(C1)C(=O)OCC1=CC=CC=C1>O.CO[H].C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>COC1=C(C=CC(=C1)OC)CNC(C)C1CN(C1)C(=O)OCC1=CC=CC=C1 | 3 |
[CH3:1][C:2]1([CH3:22])[C:11]2[CH:10]=[C:9]([C:12](=[O:14])[CH3:13])[CH:8]=[CH:7][C:6]=2[C:5]([C:15]2[CH:20]=[CH:19][C:18]([CH3:21])=[CH:17][CH:16]=2)=[CH:4]C1.BrC1C=C2C(C(C3C=CC(C)=CC=3)=CC2(C)C)=CC=1>>[CH3:1][C:2]1([CH3:22])[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([C:12](=[O:14])[CH3:13])[CH:10]=2)[C:5]([C:15]2[CH:20]=[CH:19][C:18]([CH3:21])=[CH:17][CH:16]=2)=[CH:4]1 | 1 |
N[C@H]1[C@H](CCCC1)N.N1(C=NC2=C1C=CC=C2)C2=C1N=CNC1=NC(=N2)Cl>>Cl.Cl.N1(C=NC2=C1C=CC=C2)C2=C1N=CNC1=NC(=N2)N[C@H]2[C@H](CCCC2)N | 5 |
BrC1=C(C=CC=C1)CC(=O)O>ClCCl.ClS(Cl)=O>BrC1=C(C=CC=C1)CC(=O)Cl | 3 |
C(#N)C1=CC=C(C(CBr)=O)C=C1.CC1=C(C=2C(=NC=CC2)N1)C>CC#N>CC1=C(C=2C(N(C=CC2)CC(=O)C2=CC=C(C=C2)C#N)=N1)C | 3 |
C(=O)([O-])[O-].[Na+].[Na+].[C:7]1(B(O)O)[CH:12]=[CH:11][C:10](B(O)O)=[CH:9][CH:8]=1.Cl[C:20]1[N:25]=[CH:24][CH:23]=[CH:22][N:21]=1.Cl[C:27]1[C:32]([S:33]([N:36]([C:46]([O:48][CH2:49][CH:50]([CH3:52])[CH3:51])=[O:47])[C:37]2[C:42]([O:43][CH3:44])=[N:41][C:40]([CH3:45])=[CH:39][N:38]=2)(=[O:35])=[O:34])=[CH:31][CH:30]=[CH:29][N:28]=1>O.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.C1(C)C=CC=CC=1.C(O)C>[CH2:49]([O:48][C:46]([N:36]([C:37]1[C:42]([O:43][CH3:44])=[N:41][C:40]([CH3:45])=[CH:39][N:38]=1)[S:33]([C:32]1[C:27]([C:7]2[CH:12]=[CH:11][C:10]([C:20]3[N:25]=[CH:24][CH:23]=[CH:22][N:21]=3)=[CH:9][CH:8]=2)=[N:28][CH:29]=[CH:30][CH:31]=1)(=[O:35])=[O:34])=[O:47])[CH:50]([CH3:52])[CH3:51] | 1 |
C(C1=CC=CC=C1)OC1CC(C1)N1CCN(CC1)C=1N(CCN1)S(=O)(=O)C1=CC=C(C=C1)C(C)C>CO[H].C(=O)(C(F)(F)F)O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>C(C)(C)C1=CC=C(C=C1)S(=O)(=O)N1C(=NCC1)N1CCN(CC1)C1CC(C1)O | 3 |
[N+](=O)([O-])C.C(C1=CC=CC=C1)OC=1C=C(C=O)C=CC1OC>>C(C1=CC=CC=C1)OC1=C(C=CC(=C1)\C=C\[N+](=O)[O-])OC | 5 |
NCC(=O)C1=CC(=CC=C1)C(F)(F)F.ClC(CN1N=CC(=C1)C(=O)OCC)=O>>O=C(CN1N=CC(=C1)C(=O)OCC)NCC(C1=CC(=CC=C1)C(F)(F)F)=O | 5 |
[CH3:1][O:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([N:11]2[C:15](=[O:16])[C:14](=[O:17])[N:13]([C:18]3[CH:23]=[CH:22][C:21]([C:24]([O:26][CH3:27])=[O:25])=[CH:20][CH:19]=3)[C:12]2=[CH2:28])=[CH:7][CH:6]=1)=[O:4].[H][H]>CN(C)C=O.[Pd]>[CH3:27][O:26][C:24]([C:21]1[CH:22]=[CH:23][C:18]([N:13]2[C:14](=[O:17])[C:15](=[O:16])[N:11]([C:8]3[CH:9]=[CH:10][C:5]([C:3]([O:2][CH3:1])=[O:4])=[CH:6][CH:7]=3)[CH:12]2[CH3:28])=[CH:19][CH:20]=1)=[O:25] | 1 |
[CH2:1]([O:8][C:9]1[C:14](Br)=[CH:13][C:12](Br)=[CH:11][C:10]=1[CH2:17][C:18]([O:20][CH3:21])=[O:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH:22](/B1OC(C)(C)C(C)(C)O1)=[CH:23]\[CH2:24][CH2:25][CH3:26]>>[CH2:1]([O:8][C:9]1[C:14](/[CH:1]=[CH:2]/[CH2:3][CH2:4][CH3:5])=[CH:13][C:12](/[CH:22]=[CH:23]/[CH2:24][CH2:25][CH3:26])=[CH:11][C:10]=1[CH2:17][C:18]([O:20][CH3:21])=[O:19])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[N:1]([CH2:4][CH:5]1[C:9]([C:10]2[CH:15]=[C:14]([F:16])[CH:13]=[CH:12][C:11]=2[F:17])=[CH:8][CH:7]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[N:6]1[C:24](OC(C)(C)C)=O)=[N+]=[N-].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.ClC[C:52](Cl)=[O:53].C(N(CC)CC)C>C1COCC1.C(Cl)Cl>[F:17][C:11]1[CH:12]=[CH:13][C:14]([F:16])=[CH:15][C:10]=1[C:9]1[CH:5]2[CH2:4][NH:1][C:52](=[O:53])[CH2:24][N:6]2[CH:7]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH:8]=1 | 2 |
FC1=C(C=CC=C1)C1=C(OC2=CC=CC=C2C1=O)C>BrN1C(CCC1=O)=O.CC(C)(C#N)/N=N/C(C)(C)C#N>BrCC=1OC2=CC=CC=C2C(C1C1=C(C=CC=C1)F)=O | 3 |
C(C=C)(=O)Cl.NC=1C=C(C=2CCCCC2C1)NC1=NC=C(C(=N1)NC1=C(C(=O)NC)C=CC=C1)Cl>>C(C=C)(=O)NC=1C=C(C=2CCCCC2C1)NC1=NC=C(C(=N1)NC1=C(C(=O)NC)C=CC=C1)Cl | 5 |
ClC1=NC=C(C(=N1)NCC1=CC=C(C=C1)N1N=C(C=C1C)C)N>ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1>ClC1=NC=C2NC(N(C2=N1)CC1=CC=C(C=C1)N1N=C(C=C1C)C)=O | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[C:15]3[C:10](=[CH:11][C:12]([CH:16]=[O:17])=[CH:13][CH:14]=3)[NH:9][N:8]=2)[CH:2]=1.B1(C2C=CC([N:33]3[CH2:38][CH2:37][O:36][CH2:35][CH2:34]3)=NC=2)OC(C)(C)C(C)(C)O1>>[O:36]1[CH2:37][CH2:38][N:33]([C:6]2[N:1]=[CH:2][C:3]([C:7]3[C:15]4[C:10](=[CH:11][C:12]([CH:16]=[O:17])=[CH:13][CH:14]=4)[NH:9][N:8]=3)=[CH:4][CH:5]=2)[CH2:34][CH2:35]1 | 1 |
[F:1][C:2]([F:14])([F:13])[C:3]1[CH:12]=[CH:11][C:6](/[CH:7]=[CH:8]/[CH2:9][OH:10])=[CH:5][CH:4]=1>C(Cl)Cl.[O-2].[O-2].[Mn+4]>[F:1][C:2]([F:13])([F:14])[C:3]1[CH:12]=[CH:11][C:6](/[CH:7]=[CH:8]/[CH:9]=[O:10])=[CH:5][CH:4]=1 | 1 |
C(CC)[Mg]Br.FC(OC1=CC=C(C=C1)N1C(C2C(C1)CC(C2)=O)=O)(F)F>C1CCCO1>OC1(CC2C(C(N(C2)C2=CC=C(C=C2)OC(F)(F)F)=O)C1)CCC | 3 |
COC=1C=C(C2=C(C=CC=C2C1)C#C[Si](C(C)C)(C(C)C)C(C)C)O>C1(=CC=NC=C1)N(C)C.ClCCl.C(C)(=O)OC(C)=O.C(O)([O-])=O.[Na+]>C(C)(=O)OC1=CC(=CC2=CC=CC(=C12)C#C[Si](C(C)C)(C(C)C)C(C)C)OC | 3 |
[CH3:1][N:2]1[CH2:7][CH2:6][NH:5][CH2:4][CH2:3]1.Cl[CH2:9][C@@H:10]1[N:15]2[C:16]3[C:25]4[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=4)[N:19]=[C:18]([NH2:26])[C:17]=3[N:27]=[C:14]2[CH2:13][O:12][CH2:11]1>>[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([CH2:9][C@@H:10]2[N:15]3[C:16]4[C:25]5[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=5)[N:19]=[C:18]([NH2:26])[C:17]=4[N:27]=[C:14]3[CH2:13][O:12][CH2:11]2)[CH2:4][CH2:3]1 | 1 |
CI.C1(=CC=CC=C1)S(=O)(=O)NC1=C(C=C(C=C1)C(F)(F)F)NCC1=CC=C(C(=O)OC)C=C1.C(C)(C)N(C1=C(C=C(C=C1)C(F)(F)F)NCC1=CC=C(C(=O)OC)C=C1)S(=O)(=O)C1=CC=CC=C1>>CN(C1=C(C=CC(=C1)C(F)(F)F)N(C(C)C)S(=O)(=O)C1=CC=CC=C1)CC1=CC=C(C(=O)OC)C=C1 | 5 |
ClC1=CC=C(CNC2=CC=C(C(=O)OCC)C=C2)C=C1>O.C=O.C(=O)O>C(C)OC(=O)C1=CC=C(C=C1)N(CC1=CC=C(C=C1)Cl)C | 3 |
FC=1C=C(C=CC1[N+](=O)[O-])S(=O)(=O)Cl.Cl.Cl.FC(C(C(F)(F)F)(O)C1=CC=C(C=C1)N1CCNCC1)(F)F>ClCCl.CCN(CC)CC>FC=1C=C(C=CC1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O | 3 |
[H-].[Na+].[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([CH2:12][CH2:13][CH2:14][C:15]([OH:17])=[O:16])=[CH:4]1.[N+:18]([C:21]1[CH:22]=[C:23]([CH:26]=[CH:27][CH:28]=1)[CH2:24]Br)([O-:20])=[O:19]>CN(C)C=O>[N+:18]([C:21]1[CH:22]=[C:23]([CH:26]=[CH:27][CH:28]=1)[CH2:24][N:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([CH2:12][CH2:13][CH2:14][C:15]([OH:17])=[O:16])=[CH:4]1)([O-:20])=[O:19] | 1 |
[CH:1]1([CH2:7][S:8]([N:11]2[CH2:16][CH2:15][CH2:14][CH2:13][C@H:12]2/[C:17](=[N:19]/[OH:20])/[NH2:18])(=[O:10])=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[O:21]=[C:22]1[C:30]2[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=2)[C:24](=[O:31])[N:23]1[CH2:32][C:33]1[O:37][C:36]([C:38](O)=[O:39])=[CH:35][CH:34]=1>>[CH:1]1([CH2:7][S:8]([N:11]2[CH2:16][CH2:15][CH2:14][CH2:13][C@H:12]2/[C:17](=[N:19]/[O:20][C:38]([C:36]2[O:37][C:33]([CH2:32][N:23]3[C:24](=[O:31])[C:25]4[C:30](=[CH:29][CH:28]=[CH:27][CH:26]=4)[C:22]3=[O:21])=[CH:34][CH:35]=2)=[O:39])/[NH2:18])(=[O:9])=[O:10])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
CS(=O)(=O)Cl.COC(=O)N1C2C(C(C1)C1=CNC3=CC(=CC=C13)F)N(CC2)C(C(C2CCCCC2)NC(=O)OC(C)(C)C)=O>>C(C)(C)(C)OC(NC(C(=O)N1C2C(CC1)N(CC2C2=CNC1=CC(=CC=C21)F)S(=O)(=O)C)C2CCCCC2)=O | 5 |
C1(CC=2C(C(=O)O1)=CC=CC2)=O.NC=1C=C(C(=O)NC2CC2)C=CC1C>C1(=CC=CC=C1)C>O=C1N(C(CC2=CC=CC=C12)=O)C=1C=C(C(=O)NC2CC2)C=CC1C | 3 |
[Li][CH2:2][CH2:3][CH2:4][CH3:5].O=C1[CH:12]2[CH:10]3[CH:11]2CC1[CH:9]3[C:14]1[NH:22][C:21]2[C:20](=[O:23])[N:19]([CH2:24][CH2:25][CH3:26])[C:18](=[O:27])[N:17]([CH2:28][CH2:29][CH3:30])[C:16]=2[N:15]=1>[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1COCC1>[CH2:5]=[C:4]1[CH:11]2[CH:10]3[CH:12]2[CH2:2][CH:3]1[CH:9]3[C:14]1[NH:22][C:21]2[C:20](=[O:23])[N:19]([CH2:24][CH2:25][CH3:26])[C:18](=[O:27])[N:17]([CH2:28][CH2:29][CH3:30])[C:16]=2[N:15]=1 | 1 |
FC1=C(C(=O)N2[C@@H](C[C@H](C2)O)C(=O)OC)C=CC(=C1)C1=NC=C(C=C1)OCC1CCN(CC1)CC(C)(C)F>C1CCCO1.O[Li].O>FC1=C(C(=O)N2[C@@H](C[C@H](C2)O)C(=O)O)C=CC(=C1)C1=NC=C(C=C1)OCC1CCN(CC1)CC(C)(C)F | 3 |
Cl.FC1(CNCC1)C.BrC=1C=C2C(=CC=NC2=CC1)C(=O)OC(C)(C)C>O1CCOCC1.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].C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>FC1(CN(CC1)C=1C=C2C(=CC=NC2=CC1)C(=O)OC(C)(C)C)C | 3 |
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[N+:14]([O-])=O)[CH2:4][CH2:3]1>CCO.[Pd]>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[NH2:14])[CH2:6][CH2:7]1 | 2 |
O1CCC(=CC1)C=1C(=NN(C1C)C1OCCCC1)C>CO[H].[HH].[Pd]>CC1=NN(C(=C1C1CCOCC1)C)C1OCCCC1 | 3 |
[C@@]12(C=CC[C@H](CC1)N2C)O.C1(=CC=CC=C1)C1=C(C=CC=C1)N=C=O>>C1(=CC=CC=C1C1=CC=CC=C1)NC(=O)O[C@]12C=CC[C@H](CC1)N2C | 5 |
ClCCCC(C)(C1=C(C=C(C=C1)C(F)(F)F)F)C1=NN=C(O1)C1=CC(NC(=N1)C)=O>CS(=O)C.[N-]=[N+]=[N-].[Na+].C(O)([O-])=O.[Na+]>N(=[N+]=[N-])CCCC(C)(C1=C(C=C(C=C1)C(F)(F)F)F)C1=NN=C(O1)C1=CC(NC(=N1)C)=O | 3 |
C(OC([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[C:22]3[O:21][C:20]([C:23](=[O:25])[NH2:24])=[C:19]([CH2:26][C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=4)[C:18]=3[CH:17]=[C:16]([CH3:33])[CH:15]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.Cl>>[CH2:26]([C:19]1[C:18]2[CH:17]=[C:16]([CH3:33])[CH:15]=[C:14]([N:11]3[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]3)[C:22]=2[O:21][C:20]=1[C:23]([NH2:24])=[O:25])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1 | 1 |
ClC1=CC=C(S1)C(=O)NC=1C(=NC=CC1)C(=O)OC>O[Li].O>ClC1=CC=C(S1)C(=O)NC=1C(=NC=CC1)C(=O)O | 3 |
C1(NC2CCCCC2)CCCCC1.CCCCCC.[CH2:20]([O:23][C:24]([CH:26]1[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]1)=[O:25])[CH2:21][CH3:22].Br[CH2:33][CH:34]([CH2:37][CH3:38])[CH2:35][CH3:36].Cl>C1COCC1.O>[CH2:20]([O:23][C:24]([C:26]1([CH2:33][CH:34]([CH2:37][CH3:38])[CH2:35][CH3:36])[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]1)=[O:25])[CH2:21][CH3:22] | 1 |
C(#N)C=1C=C(C=CC1)S(=O)(=O)Cl>C1CCCO1>C(#N)C=1C=C(C=CC1)S(=O)(=O)N | 3 |
COC1=C(CNC(CC[C@H](NC(CN(C(/C=C/[C@@H](NC(OC(C)(C)C)=O)COCC2=CC=C(C=C2)OC)=O)C)=O)C(O[C@H]([C@@H](C(=O)O)C)[C@H](C)C[C@@H](C[C@@H](CC)C)C)=O)=O)C=CC(=C1)OC>C1(=CC=CC=C1)C.Cl.C(C)(=O)O>[Cl-].C(=O)(O)[C@@H](C)[C@H]([C@@H](C[C@@H](C[C@@H](CC)C)C)C)OC([C@H](CCC(=O)NCC1=CC(=C(C=C1)C)C)NC(CN(C(/C=C/[C@H](CO)[NH3+])=O)C)=O)=O | 3 |
CC1=CC=C(C=N1)B(O)O.BrC=1C=C2C=CN(C(C2=CC1)=O)C>O1CCOCC1.C(O)([O-])=O.[Na+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>CN1C(C2=CC=C(C=C2C=C1)C=1C=NC(=CC1)C)=O | 3 |
C(C)OC=1C=C(C(=O)N)C=CC1[N+](=O)[O-]>>C(C)OC=1C=C(C(=O)N)C=CC1N | 5 |
[C:1]([O:5][C:6]([N:8]([C:46]([O:48][C:49]([CH3:52])([CH3:51])[CH3:50])=[O:47])[C:9]1[C:14]([C:15]2[O:19][N:18]=[C:17]([C:20]3[CH:25]=[CH:24][C:23]([CH2:26][N:27]([CH3:35])[C:28](=[O:34])[O:29][C:30]([CH3:33])([CH3:32])[CH3:31])=[CH:22][C:21]=3[F:36])[CH:16]=2)=[CH:13][C:12](B2OC(C)(C)C(C)(C)O2)=[CH:11][N:10]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Br[C:54]1[CH:59]=[CH:58][C:57]([S:60]([CH:63]([CH3:65])[CH3:64])(=[O:62])=[O:61])=[CH:56][N:55]=1.C([O-])([O-])=O.[Na+].[Na+]>CN(C=O)C.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>[C:49]([O:48][C:46]([N:8]([C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7])[C:9]1[C:14]([C:15]2[O:19][N:18]=[C:17]([C:20]3[CH:25]=[CH:24][C:23]([CH2:26][N:27]([CH3:35])[C:28](=[O:34])[O:29][C:30]([CH3:31])([CH3:33])[CH3:32])=[CH:22][C:21]=3[F:36])[CH:16]=2)=[CH:13][C:12]([C:54]2[CH:59]=[CH:58][C:57]([S:60]([CH:63]([CH3:65])[CH3:64])(=[O:61])=[O:62])=[CH:56][N:55]=2)=[CH:11][N:10]=1)=[O:47])([CH3:51])([CH3:50])[CH3:52] | 1 |
C(=O)=O.FC=1C(=NNC1)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC>C1CCCO1.C(CCC)[Li]>COC1=CC=C(CN(S(=O)(=O)C2=C(C(=NN2)C(=O)O)F)CC2=CC=C(C=C2)OC)C=C1 | 3 |
FC(S(=O)(=O)OC1=C(OC2=CN=CC=C21)C2=NC=CC=N2)(F)F.NC1=C2C(=NN(C2=C(C=C1)Cl)C(=O)OC(C)(C)C)Cl>>ClC1=NN(C2=C(C=CC(=C12)NC1=C(OC2=CN=CC=C21)C2=NC=CC=N2)Cl)C(=O)OC(C)(C)C | 5 |
CS(=O)(=O)Cl.C[C@@H]1CN(CCN1)C(=O)OC(C)(C)C>>CS(=O)(=O)N1[C@@H](CNCC1)C | 5 |
[C:1]1([C@H:7]2[C@@H:12]([NH:13][CH2:14][C:15]3[CH:20]=[C:19]([CH:21]([C:26]([F:29])([F:28])[F:27])[C:22]([F:25])([F:24])[F:23])[CH:18]=[CH:17][C:16]=3[O:30][CH3:31])[CH2:11][CH2:10][CH2:9][NH:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:32].CO>C(Cl)Cl>[ClH:32].[ClH:32].[C:1]1([C@H:7]2[C@@H:12]([NH:13][CH2:14][C:15]3[CH:20]=[C:19]([CH:21]([C:26]([F:27])([F:28])[F:29])[C:22]([F:23])([F:24])[F:25])[CH:18]=[CH:17][C:16]=3[O:30][CH3:31])[CH2:11][CH2:10][CH2:9][NH:8]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
C(C1=CC=CC=C1)Cl.C(CCC)NCCCC>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CC(C)(C)[O-].[Na+].F[B-](F)(F)F.C(C)(C)(C)[PH+](CC(C)(C)C)C(C)(C)C>C(CCC)N(C1=CC=C(C=C1)C)CCCC | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][CH2:9][CH2:10][CH2:11][C:12]([OH:14])=O)=[CH:4][CH:3]=1.[CH3:15][NH:16][CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[N:24]1[CH2:29][CH2:28][O:27][CH2:26][CH2:25]1>>[OH:1][C:2]1[CH:3]=[CH:4][C:5]([S:8][CH2:9][CH2:10][CH2:11][C:12]([N:16]([CH3:15])[CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[N:24]2[CH2:29][CH2:28][O:27][CH2:26][CH2:25]2)=[O:14])=[CH:6][CH:7]=1 | 2 |
C=C[Mg]Br.ClC1=CC=C(C(=N1)C)[N+](=O)[O-]>C1CCCO1>ClC=1C=C2C(=C(N1)C)NC=C2 | 3 |
COC(=O)[C@@H]1N(C(CN(C1)S(=O)(=O)C=1N(C2=CC=C(C=C2C1)Cl)S(=O)(=O)C1=CC=CC=C1)=O)CC1CCN(CC1)C1=NN(C(C=C1)=O)C>>COC(=O)[C@@H]1N(C(CN(C1)S(=O)(=O)C=1NC2=CC=C(C=C2C1)Cl)=O)CC1CCN(CC1)C1=NN(C(C=C1)=O)C | 5 |
FOP(=O)(OF)CC1=C(C=C(C=C1)CN(S(=O)(=O)C1=C(C=CC=C1)OC)CC1=CC=C(C=C1)C=1C=CC(=C(C(=O)OC)C1)OC)Cl>[OH-].[Li+]>FOP(=O)(OF)CC1=C(C=C(C=C1)CN(S(=O)(=O)C1=C(C=CC=C1)OC)CC1=CC=C(C=C1)C=1C=CC(=C(C(=O)O)C1)OC)Cl | 3 |
Br[C:2]1[NH:3][C:4]2[C:5]3[C:6]=1[CH2:7][NH:8][C:9](=[O:14])[C:10]=3[CH:11]=[CH:12][CH:13]=2.[C:15]1(B(O)O)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.C([O-])([O-])=O.[Na+].[Na+].[Li+].[Cl-]>C1(C)C=CC=CC=1.O.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>[C:15]1([N:3]2[C:4]3[C:5]4[C:6]([CH2:7][NH:8][C:9](=[O:14])[C:10]=4[CH:11]=[CH:12][CH:13]=3)=[CH:2]2)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
COC(C1=CC(=C(C=C1)CBr)OC)=O.ClC=1C=C(C=NC1OCC(C)C)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>ClC=1C=C(C=NC1OCC(C)C)OCC1=C(C=C(C(=O)OC)C=C1)OC | 3 |
C(C)(C)(C)OC(=O)N1CC(CC1)(C(=O)O)F.Cl.Cl.N[C@H]1CN(C[C@H](C1)C(F)(F)F)C1=C2C=CC=NC2=C(C=C1)C#N>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>C(C)(C)(C)OC(=O)N1CC(CC1)(F)C(N[C@H]1CN(C[C@H](C1)C(F)(F)F)C1=C2C=CC=NC2=C(C=C1)C#N)=O | 3 |
ClCC1=CC(=NN1)C1=CC=CC=C1>>C1(=CC=CC=C1)C1=NN2C(CSCC2)=C1 | 5 |
ClC1=CC=C(C(=C1)C)B(O)O.ClCC=1N=NN2C1C(CCC2)=O>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=CC(=C(CC=2N=NN3C2C(CCC3)=O)C=C1)C | 3 |
COCCl.BrC=1C(NC=CC1)=O>>BrC=1C(N(C=CC1)COC)=O | 5 |
ClCCl.C([O-])([O-])=O.[Cs+].[Cs+].[Cl:10][C:11]1[CH:12]=[C:13](B(O)O)[CH:14]=[CH:15][C:16]=1[O:17][CH3:18].Cl[C:23]1[N:24]=[C:25]([CH2:44][CH3:45])[C:26]2[CH2:31][CH2:30][N:29]([C:32]3[CH:37]=[CH:36][C:35]([CH2:38][C:39]([O:41][CH2:42][CH3:43])=[O:40])=[CH:34][CH:33]=3)[C:27]=2[N:28]=1>O1CCOCC1>[Cl:10][C:11]1[CH:12]=[C:13]([C:23]2[N:24]=[C:25]([CH2:44][CH3:45])[C:26]3[CH2:31][CH2:30][N:29]([C:32]4[CH:33]=[CH:34][C:35]([CH2:38][C:39]([O:41][CH2:42][CH3:43])=[O:40])=[CH:36][CH:37]=4)[C:27]=3[N:28]=2)[CH:14]=[CH:15][C:16]=1[O:17][CH3:18] | 2 |
ClC=1N=NC(=CC1)C=1OC(=NN1)COCC1=CC=C(C=C1)OC.Cl.ClC1=C(C=CC=C1)C(C1(CCNCC1)C#N)(F)F>C(C)(C)O.C(C)(C)N(C(C)C)CC>ClC1=C(C=CC=C1)C(C1(CCN(CC1)C=1N=NC(=CC1)C=1OC(=NN1)COCC1=CC=C(C=C1)OC)C#N)(F)F | 3 |
[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][C:11]([NH:13][CH2:14][CH2:15][NH:16][C:17]2[C:29]3[N:28]4[C:23]([C:24]([C:30]5[C:35]([CH3:36])=[CH:34][C:33]([CH3:37])=[CH:32][C:31]=5[CH3:38])=[CH:25][CH:26]=[CH:27]4)=[CH:22][C:21]=3[N:20]=[C:19]([CH3:39])[CH:18]=2)=O)=[CH:6][C:5]=1[O:40][CH3:41])[CH3:2].N(CC)(C)C>C1COCC1>[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][CH2:11][NH:13][CH2:14][CH2:15][NH:16][C:17]2[C:29]3[N:28]4[C:23]([C:24]([C:30]5[C:31]([CH3:38])=[CH:32][C:33]([CH3:37])=[CH:34][C:35]=5[CH3:36])=[CH:25][CH:26]=[CH:27]4)=[CH:22][C:21]=3[N:20]=[C:19]([CH3:39])[CH:18]=2)=[CH:6][C:5]=1[O:40][CH3:41])[CH3:2] | 2 |
ClC(Cl)(Cl)[C:3]([NH:5][C:6]1[CH:11]=[CH:10][C:9]([C:12](=[O:20])[C:13]2[CH:18]=[CH:17][C:16]([I:19])=[CH:15][CH:14]=2)=[CH:8][C:7]=1[C:21](=O)[C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([Cl:28])[CH:23]=1)=[O:4].C([O-])(=O)C.[NH4+:36]>CS(C)=O>[Cl:28][C:24]1[CH:23]=[C:22]([C:21]2[C:7]3[C:6](=[CH:11][CH:10]=[C:9]([C:12](=[O:20])[C:13]4[CH:18]=[CH:17][C:16]([I:19])=[CH:15][CH:14]=4)[CH:8]=3)[NH:5][C:3](=[O:4])[N:36]=2)[CH:27]=[CH:26][CH:25]=1 | 1 |
[F:1][C:2]([F:20])([F:19])[C:3](=O)[CH2:4][C:5]([C:7]1[CH:17]=[CH:16][C:10]2[O:11][CH2:12][C:13](=[O:15])[NH:14][C:9]=2[CH:8]=1)=O.[F:21][C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([F:28])[C:23]=1[NH:29][NH2:30]>C(N(CC)CC)C>[F:21][C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([F:28])[C:23]=1[N:29]1[C:5]([C:7]2[CH:17]=[CH:16][C:10]3[O:11][CH2:12][C:13](=[O:15])[NH:14][C:9]=3[CH:8]=2)=[CH:4][C:3]([C:2]([F:20])([F:19])[F:1])=[N:30]1 | 2 |
C(C)(C)(C)C1=C(N=C(N1)C1=NN(C=C1NC(C1=C(C=CC=C1F)F)=O)C1OCCCC1)C>>C(C)(C)(C)C1=C(N=C(N1)C1=NNC=C1NC(C1=C(C=CC=C1F)F)=O)C | 5 |
ClC1=NC=C(C=N1)CCC.BrC1=CC2=C(N=C(O2)CC2CCNCC2)C=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=CC2=C(N=C(O2)CC2CCN(CC2)C2=NC=C(C=N2)CCC)C=C1 | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][CH:7]=[C:6]2[O:15][C:16]1[CH:21]=[CH:20][C:19]([C:22]2[N:27]=[CH:26][C:25]([NH:28][C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)=[CH:24][CH:23]=2)=[CH:18][C:17]=1[F:35].[H-].[Na+].I[CH3:39]>CN(C=O)C>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][CH:7]=[C:6]2[O:15][C:16]1[CH:21]=[CH:20][C:19]([C:22]2[N:27]=[CH:26][C:25]([N:28]([CH3:39])[C:29]3[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=3)=[CH:24][CH:23]=2)=[CH:18][C:17]=1[F:35] | 2 |
BrCC1=C(C(=O)OCC)C=CC(=N1)C(F)(F)F.FC(C=1C=C(C=CC1)S(=O)(=O)C1=CC=C(C=C1)CN)(F)F>>FC(C1=CC=C2C(=N1)CN(C2=O)CC2=CC=C(C=C2)S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F)(F)F | 5 |
CC(C(CC#N)=O)(C)C.Cl.C1(=C(C=CC=C1)NN)C>C1(=CC=CC=C1)C>NC=1C(=C(C=C(C1)C(C)(C)C)C)N1N=CC=C1 | 3 |
COC(C1=CC(C(=O)O)=CC=C1)=O>CO[H].O.NN>N(N)C(=O)C=1C=C(C(=O)O)C=CC1 | 3 |
[CH:1]1([N:6]2[C@H:12]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[CH:11]=[CH:10][CH2:9][C@H:8]([N:19]3C(=O)C4C(=CC=CC=4)C3=O)[C:7]2=[O:30])[CH2:5][CH2:4][CH2:3][CH2:2]1.O.NN>CO>[NH2:19][C@H:8]1[CH2:9][CH:10]=[CH:11][C@@H:12]([C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=2)[N:6]([CH:1]2[CH2:5][CH2:4][CH2:3][CH2:2]2)[C:7]1=[O:30] | 1 |
C([O:8][CH2:9][CH:10]1[CH2:15][O:14][CH:13]([CH2:16][O:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH2:12][CH2:11]1)C1C=CC=CC=1.Cl.CO>C1COCC1.[OH-].[OH-].[Pd+2]>[O:17]([CH2:16][CH:13]1[O:14][CH2:15][CH:10]([CH2:9][OH:8])[CH2:11][CH2:12]1)[C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1 | 2 |
COC(CCN1C([C@H](OC2=C1C=C(C=C2C)C)CC(C)C)=O)=O>>C(C(C)C)[C@H]1OC2=C(N(C1=O)CCC(=O)O)C=C(C=C2C)C | 5 |
[NH2:1][C:2]1[C:11]([Cl:12])=[CH:10][C:5]([C:6]([O:8]C)=[O:7])=[C:4]([O:13][CH:14]([C:16]#[C:17][CH3:18])[CH3:15])[CH:3]=1.O.Cl>CO.[OH-].[Na+]>[NH2:1][C:2]1[C:11]([Cl:12])=[CH:10][C:5]([C:6]([OH:8])=[O:7])=[C:4]([O:13][CH:14]([C:16]#[C:17][CH3:18])[CH3:15])[CH:3]=1 | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:12][CH3:13])=[CH:9][CH:10]=2)[CH:5]=[C:4]([NH:14][C:15]2[CH:19]=[C:18]([CH3:20])[NH:17][N:16]=2)[N:3]=1.[N:21]1[CH:26]=[CH:25][CH:24]=[C:23]([NH2:27])[CH:22]=1>>[CH3:13][O:12][C:8]1[CH:7]=[C:6]2[C:11](=[CH:10][CH:9]=1)[C:2]([NH:27][C:23]1[CH:22]=[N:21][CH:26]=[CH:25][CH:24]=1)=[N:3][C:4]([NH:14][C:15]1[CH:19]=[C:18]([CH3:20])[NH:17][N:16]=1)=[CH:5]2 | 1 |
[CH2:1]([O:8][CH2:9][C:10]1[NH:11][C:12]([S:18][C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([Cl:25])[CH:20]=2)=[C:13]([CH:15]([CH3:17])[CH3:16])[N:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:26](Br)[CH:27]=[CH2:28].[OH-].[Na+]>O1CCCC1.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[CH2:28]([N:11]1[C:12]([S:18][C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([Cl:25])[CH:20]=2)=[C:13]([CH:15]([CH3:17])[CH3:16])[N:14]=[C:10]1[CH2:9][O:8][CH2:1][C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1)[CH:27]=[CH2:26] | 1 |
Cl[CH2:2][CH2:3][O:4][C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][CH:12]=1)[C:8]#[N:9].[NH:13]1[CH:17]=[N:16][C:15]([SH:18])=[N:14]1.C(N(CC)CC)C>C(O)C>[NH:13]1[CH:17]=[N:16][C:15]([S:18][CH2:2][CH2:3][O:4][C:5]2[CH:6]=[C:7]([CH:10]=[CH:11][CH:12]=2)[C:8]#[N:9])=[N:14]1 | 1 |
C(#C)[Mg]Br.ClC1=C(C=CC(=C1)F)C(CC(C(=O)NC=1C=CC2=C(C(=NOC2=O)C)C1)=O)(C)C>C1CCCO1>ClC1=C(C=CC(=C1)F)C(CC(C(=O)NC=1C=CC2=C(C(=NOC2=O)C)C1)(O)C#C)(C)C | 3 |
C1(=C(C=CC=C1)NC1=CC=2C(C3=CC=CC=C3C2C=C1)(C)C)C1=CC=CC=C1.BrC1=CC=CC=2C3(C4=CC=CC=C4C12)C1=CC=CC=C1C=1C=CC=CC13>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].[Na+]>C1(=C(C=CC=C1)N(C1=CC=CC=2C3(C4=CC=CC=C4C12)C1=CC=CC=C1C=1C=CC=CC13)C1=CC=3C(C2=CC=CC=C2C3C=C1)(C)C)C1=CC=CC=C1 | 3 |
ClC1=CC=C(C=C1)C1=C(C(=CC=2N=C(SC21)C=2C=C1C(=NN(C1=CC2)C)C2CN(C2)C(=O)OC(C)(C)C)C)[C@@H](C(=O)OCC)OC2CC2>Cl.C(C)(C)O>N1CC(C1)C1=NN(C2=CC=C(C=C12)C=1SC2=C(N1)C=C(C(=C2C2=CC=C(C=C2)Cl)[C@@H](C(=O)OCC)OC2CC2)C)C | 3 |
I[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:8]([OH:11])[CH:9]=[CH2:10]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(N(CC)CC)C>[C:2]1([CH2:10][CH2:9][CH:8]=[O:11])[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
BrC1=CC=C(C=C1)[C@H](C)NCCC1(OCCO1)C(C)C>CO[H].Cl>BrC1=CC=C(C=C1)[C@H](C)NCCC(C(C)C)=O | 3 |
C1(=CC=C(C=C1)C(=O)Cl)C.C(C1=CC=CC=C1)N1C(=NC(=C(C1=O)C)C)[C@@H](C(C)C)NCCN1C(C2=CC=CC=C2C1=O)=O>C1(=CC=CC=C1)C.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)N1C(=NC(=C(C1=O)C)C)[C@@H](C(C)C)N1C(=NCC1)C1=CC=C(C=C1)C | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]=[C:11]([CH:13]3[CH2:16][N:15](C(OC(C)(C)C)=O)[CH2:14]3)[O:10][N:9]=2)=[CH:4][C:3]=1[NH:24][C:25]([C:27]1[N:31]2[CH:32]=[CH:33][CH:34]=[CH:35][C:30]2=[N:29][CH:28]=1)=[O:26].CCN(C(C)C)C(C)C.[CH2:45]([S:47](Cl)(=[O:49])=[O:48])[CH3:46]>C(O)(C(F)(F)F)=O>[CH2:45]([S:47]([N:15]1[CH2:14][CH:13]([C:11]2[O:10][N:9]=[C:8]([C:5]3[CH:6]=[CH:7][C:2]([F:1])=[C:3]([NH:24][C:25]([C:27]4[N:31]5[CH:32]=[CH:33][CH:34]=[CH:35][C:30]5=[N:29][CH:28]=4)=[O:26])[CH:4]=3)[N:12]=2)[CH2:16]1)(=[O:49])=[O:48])[CH3:46] | 1 |
[F:1][C:2]1[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[C:3]=1[C:4]([NH:6][C:7](=[O:22])[N:8]([C:10]1[CH:15]=[CH:14][C:13]([S:16][C:17]([F:20])([F:19])[F:18])=[CH:12][C:11]=1[F:21])[CH3:9])=[O:5].[H-].[Na+].[CH3:30][N:31]([CH3:35])[C:32](Cl)=[O:33]>CN1CCCC1=O>[F:1][C:2]1[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[C:3]=1[C:4]([N:6]([C:32](=[O:33])[N:31]([CH3:35])[CH3:30])[C:7]([N:8]([C:10]1[CH:15]=[CH:14][C:13]([S:16][C:17]([F:20])([F:19])[F:18])=[CH:12][C:11]=1[F:21])[CH3:9])=[O:22])=[O:5] | 2 |
C[N:2](C)/[CH:3]=[CH:4]/[C:5]([C:7]1[C:12](=[O:13])[CH:11]=[CH:10][N:9]([C:14]2[CH:15]=[C:16]([CH:22]=[CH:23][CH:24]=2)[C:17]([N:19]([CH3:21])[CH3:20])=[O:18])[N:8]=1)=O.[Cl:26][C:27]1[CH:28]=[C:29]([NH:33]N)[CH:30]=[CH:31][CH:32]=1>>[Cl:26][C:27]1[CH:28]=[C:29]([N:33]2[C:5]([C:7]3[C:12](=[O:13])[CH:11]=[CH:10][N:9]([C:14]4[CH:15]=[C:16]([CH:22]=[CH:23][CH:24]=4)[C:17]([N:19]([CH3:21])[CH3:20])=[O:18])[N:8]=3)=[CH:4][CH:3]=[N:2]2)[CH:30]=[CH:31][CH:32]=1 | 1 |
[CH3:1][N:2]([CH2:9][CH2:10][OH:11])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=1.F[C:13]1[CH:20]=[CH:19][C:16]([CH:17]=[O:18])=[CH:15][CH:14]=1.CS(C)=O.CN(C)C=O>O1CCCC1>[CH3:1][N:2]([CH2:9][CH2:10][O:11][C:13]1[CH:20]=[CH:19][C:16]([CH:17]=[O:18])=[CH:15][CH:14]=1)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=1 | 2 |
C(NC(C)C)(C)C.C([Li])CCC.C(N([Li])C(C)C)(C)C.[CH3:21][CH:22]1[CH2:27][CH2:26][C:25](=[O:28])[CH2:24][CH2:23]1.[CH3:29][Si:30](Cl)([CH3:32])[CH3:31].C(=O)(O)[O-].[Na+]>C1COCC1>[CH3:21][CH:22]1[CH2:27][CH2:26][C:25]([O:28][Si:30]([CH3:32])([CH3:31])[CH3:29])=[CH:24][CH2:23]1 | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][N:11]([CH3:30])[C:12](=[O:29])[CH2:13][CH2:14][CH2:15][NH:16][CH2:17][S:18]([C:21]2[CH:26]=[CH:25][CH:24]=[C:23]([Cl:27])[C:22]=2[Cl:28])(=[O:20])=[O:19])=[CH:5][CH:4]=1)#[N:2].[S].[CH3:32][NH:33][CH2:34][CH2:35]N>>[Cl:28][C:22]1[C:23]([Cl:27])=[CH:24][CH:25]=[CH:26][C:21]=1[S:18]([CH2:17][NH:16][CH2:15][CH2:14][CH2:13][C:12]([N:11]([CH3:30])[CH2:10][CH2:9][C:6]1[CH:5]=[CH:4][C:3]([C:1]2[N:33]([CH3:32])[CH2:34][CH2:35][N:2]=2)=[CH:8][CH:7]=1)=[O:29])(=[O:20])=[O:19] | 1 |
C1(CC1)CN1C([C@@H](CCC[C@@H]1C1=CC=CC=C1)NC(OC(C)(C)C)=O)=O>>N[C@H]1C(N([C@H](CCC1)C1=CC=CC=C1)CC1CC1)=O | 5 |
O1CCCCC1.C(C)C1=C(C=CC=2NC=NC21)C#N>>C(C)C1=C(C=CC=2N(C=NC21)C2OCCCC2)C#N | 5 |
[Cl:1][C:2]1[N:7]=[C:6]([C:8]2[S:12][CH:11]=[N:10][C:9]=2[C:13]2[CH:14]=[C:15]([NH2:19])[CH:16]=[CH:17][CH:18]=2)[CH:5]=[CH:4][N:3]=1.[S:20]1[CH:24]=[CH:23][CH:22]=[C:21]1[CH2:25][C:26](Cl)=[O:27]>C1COCC1>[Cl:1][C:2]1[N:7]=[C:6]([C:8]2[S:12][CH:11]=[N:10][C:9]=2[C:13]2[CH:14]=[C:15]([NH:19][C:26](=[O:27])[CH2:25][C:21]3[S:20][CH:24]=[CH:23][CH:22]=3)[CH:16]=[CH:17][CH:18]=2)[CH:5]=[CH:4][N:3]=1 | 2 |
[C:1]([O:5][CH2:6][CH2:7][N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[CH:24]=[C:23](F)[CH:22]=[C:21]3[C:16]=2[C:17](=[O:26])[NH:18][CH:19]=[N:20]3)[CH2:10][CH2:9]1)([CH3:4])([CH3:3])[CH3:2].[CH3:27][OH:28]>>[C:1]([O:5][CH2:6][CH2:7][N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[CH:24]=[C:23]([O:28][CH3:27])[CH:22]=[C:21]3[C:16]=2[C:17](=[O:26])[NH:18][CH:19]=[N:20]3)[CH2:10][CH2:9]1)([CH3:4])([CH3:3])[CH3:2] | 1 |
C(C)(=O)OC(C)=O.NC[C@@H]1CN(C(O1)=O)C=1C=C2CC(N(C2=C(C1)F)C)=O>ClCCl.C(C)(C)N(C(C)C)CC>FC=1C=C(C=C2CC(N(C12)C)=O)N1C(O[C@H](C1)CNC(C)=O)=O | 3 |
[CH:1]1[C:14]2[C:5](=[N:6][CH:7]=[C:8]3[C:13]=2[CH:12]=[CH:11][CH:10]=[CH:9]3)[CH:4]=[CH:3][CH:2]=1.[C:15](Cl)(=[O:19])[CH:16]([CH3:18])[CH3:17].[Cl:21][C:22]1[S:26][C:25]([Mg]Br)=[CH:24][CH:23]=1>>[Cl:21][C:22]1[S:26][C:25]([CH:7]2[C:8]3[C:13](=[CH:12][CH:11]=[CH:10][CH:9]=3)[C:14]3[CH:1]=[CH:2][CH:3]=[CH:4][C:5]=3[N:6]2[C:15](=[O:19])[CH:16]([CH3:18])[CH3:17])=[CH:24][CH:23]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]=[C:10]=[O:11])=[CH:5][CH:4]=1.[ClH:12].Cl.[Cl:14][C:15]1[CH:32]=[CH:31][C:18]([CH2:19][CH2:20][N:21]2[CH2:26][CH2:25][N:24]([CH2:27][CH2:28][CH2:29][SH:30])[CH2:23][CH2:22]2)=[CH:17][CH:16]=1.C(N(CC)CC)C>C(Cl)Cl>[ClH:14].[ClH:12].[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10](=[SH:30][CH2:29][CH2:28][CH2:27][N:24]2[CH2:25][CH2:26][N:21]([CH2:20][CH2:19][C:18]3[CH:17]=[CH:16][C:15]([Cl:14])=[CH:32][CH:31]=3)[CH2:22][CH2:23]2)[OH:11])=[CH:7][CH:8]=1 | 1 |
Cl[C:2]1[CH:9]=[N:8][CH:7]=[C:6]([Cl:10])[C:3]=1[C:4]#[N:5].CC1(C)C(C)(C)OB([C:19]2[CH:24]=[CH:23][C:22]([NH2:25])=[CH:21][CH:20]=2)O1.C(Cl)Cl.C([O-])([O-])=O.[Na+].[Na+]>CN(C=O)C.O>[NH2:25][C:22]1[CH:23]=[CH:24][C:19]([C:2]2[CH:9]=[N:8][CH:7]=[C:6]([Cl:10])[C:3]=2[C:4]#[N:5])=[CH:20][CH:21]=1 | 1 |
[OH-].[Na+].O.Cl.[CH2:5]([NH2:7])[CH3:6].[Br:8][C:9]1[CH:10]=[C:11]([CH:15]=[CH:16][CH:17]=1)[C:12](Cl)=[O:13]>CO>[Br:8][C:9]1[CH:10]=[C:11]([CH:15]=[CH:16][CH:17]=1)[C:12]([NH:7][CH2:5][CH3:6])=[O:13] | 1 |
S1C(=CC=C1)C(=O)O>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>[N+](=O)([O-])C=1C=C(SC1)C(=O)O | 3 |
C1(=CC(=CC=C1)CC#N)CC#N>>C1(=CC(=CC=C1)CCN)CCN | 5 |
[S:1](Cl)(=[O:4])(=[O:3])[NH2:2].[O:6]([CH:13]([CH3:16])[CH2:14][OH:15])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1>>[O:6]([CH:13]([CH3:16])[CH2:14][O:15][S:1](=[O:4])(=[O:3])[NH2:2])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1 | 1 |
CC=1C=NC(=NC1)CO>>CC=1C=NC(=NC1)C=O | 5 |
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