smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1(=CC=CC=C1)C1=CC=C(N=N1)N.BrC=1C=C(C(=O)NCCCN2CCOCC2)C=CC1>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+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C>N1(CCOCC1)CCCNC(C1=CC(=CC=C1)NC=1N=NC(=CC1)C1=CC=CC=C1)=O | 3 |
COC=C1CCC2(CC1)OCC1=C2C=CC=C1>>C12(CCC(CC1)C=O)OCC1=C2C=CC=C1 | 5 |
Br[C:2]1[CH:3]=[C:4]([C:24](=[O:36])[NH:25][CH2:26][C:27]2[C:28](=[O:35])[NH:29][C:30]([CH3:34])=[CH:31][C:32]=2[CH3:33])[C:5]([CH3:23])=[C:6]([N:8]([CH3:22])[CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH2:10]2)[CH:7]=1.[CH:37]([C:39]1[N:44]=[CH:43][C:42](B(O)O)=[CH:41][CH:40]=1)=[O:38].C([O-])([O-])=O.[Na+].[Na+].CO>O1CCOCC1.C(Cl)Cl.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>[CH3:33][C:32]1[CH:31]=[C:30]([CH3:34])[NH:29][C:28](=[O:35])[C:27]=1[CH2:26][NH:25][C:24]([C:4]1[C:5]([CH3:23])=[C:6]([N:8]([CH3:22])[CH:9]2[CH2:10][CH2:11][N:12]([C:15]([O:17][C:18]([CH3:19])([CH3:21])[CH3:20])=[O:16])[CH2:13][CH2:14]2)[CH:7]=[C:2]([C:42]2[CH:43]=[N:44][C:39]([CH:37]=[O:38])=[CH:40][CH:41]=2)[CH:3]=1)=[O:36] | 1 |
FC(COS(=O)(=O)C(F)(F)F)F.C(C1=CC=CC=C1)N1CC2(CNC2)CC1=O>CC#N.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)N1CC2(CN(C2)CC(F)F)CC1=O | 3 |
C(C)OC(OCC)OCC.CC=1C(=NC=CC1)C=O.NC1=NN2C(=NC(=CC2=N1)C=1C=C(C#N)C=CC1)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC>[Na+].[BH4-].CCO[H].[Cl-].[NH4+]>COC1=CC=C(CN(C2=NC(=CC=3N2N=C(N3)NCC3=NC=CC=C3C)C=3C=C(C#N)C=CC3)CC3=CC=C(C=C3)OC)C=C1 | 3 |
[Cl-].O[NH3+:3].[C:4](=[O:7])([O-])[OH:5].[Na+].[Si]([O:16][CH:17]([CH3:54])[CH2:18][O:19][C@H:20]1[CH2:25][CH2:24][C@H:23]([N:26]2[C:31](=[O:32])[C:30]([CH2:33][C:34]3[CH:39]=[CH:38][C:37]([C:40]4[C:41]([C:46]#[N:47])=[CH:42][CH:43]=[CH:44][CH:45]=4)=[CH:36][CH:35]=3)=[C:29]([CH2:48][CH2:49][CH3:50])[N:28]3[N:51]=[CH:52][N:53]=[C:27]23)[CH2:22][CH2:21]1)(C(C)(C)C)(C)C.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.S([O-])([O-])(=O)=S.[Na+].[Na+]>C(#N)C.O.C(OCC)(=O)C.CS(C)=O>[O:7]=[C:4]1[O:5][N:47]=[C:46]([C:41]2[CH:42]=[CH:43][CH:44]=[CH:45][C:40]=2[C:37]2[CH:38]=[CH:39][C:34]([CH2:33][C:30]3[C:31](=[O:32])[N:26]([C@H:23]4[CH2:22][CH2:21][C@H:20]([O:19][CH2:18][C:17](=[O:16])[CH3:54])[CH2:25][CH2:24]4)[C:27]4[N:28]([N:51]=[CH:52][N:53]=4)[C:29]=3[CH2:48][CH2:49][CH3:50])=[CH:35][CH:36]=2)[NH:3]1 | 1 |
OC1CC(CCC1)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC1CC(CCC1)(O)C | 3 |
BrC1=C(C=C(C(=C1)[N+](=O)[O-])C)N1CCOCC1>>BrC=1C(=CC(=C(N)C1)C)N1CCOCC1 | 5 |
CC1NCCC1.BrC=1C(=NC2=CC=C(C=C2N1)C(=O)OC)C1=CC=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C[C@H]1N(CCC1)C=1C(=NC2=CC=C(C=C2N1)C(=O)OC)C1=CC=CC=C1 | 3 |
NC1SC=C(C(=O)C(N[C@@H:11]2[C:18](=[O:19])[N:17]3[C@@H:12]2[S:13][CH2:14][C:15](CSC2C(C4C=CC(O)=C(O)C=4)=CN=C(C4C=CC=CC=4)N=2)=[C:16]3[C:20]([OH:22])=[O:21])=O)N=1.Cl.FC1C2OC(C3C=CC=CC=3)(C3C=CC=CC=3)OC=2C=CC=1CON>CC(N(C)C)=O>[O:19]=[C:18]1[N:17]2[CH:12]([S:13][CH2:14][CH:15]=[C:16]2[C:20]([OH:22])=[O:21])[CH2:11]1 | 1 |
NCC(=O)OCC.C(C1=CC=CC=C1)OC(=O)N[C@@H](CO)C(=O)O>ClCCl.CCN(CC)CC.P(=O)(OC1=NOC2=C1C=CC=C2)(OC2=CC=CC=C2)OC2=CC=CC=C2>C(C)OC(CNC([C@H](CO)NC(=O)OCC1=CC=CC=C1)=O)=O | 3 |
BrC=1C(=NC=CC1C=1C(=NC(=NC1)N)NC1CCCC1)F>O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CCCC1)N1C2=C(C3=C1N=C(N=C3)N)C=CN=C2F | 3 |
C1=C(C=CC2=CC=CC=C12)CC=1C(=C(SC1C1=NN(C=N1)C1OCCCC1)C1=CN=NC=C1)C#N>>C1=C(C=CC2=CC=CC=C12)CC=1C(=C(SC1C1=NN=CN1)C1=CN=NC=C1)C#N | 5 |
NC1=C2C=CN=CC2=CC=C1>>BrC1=CC=C(C=2C=CN=CC12)N | 5 |
C[C@H]1CN(CCN1C1=CC=NC=2N1N=CC2C)C(=O)OC(C)(C)C>Cl.O1CCOCC1>Cl.CC=1C=NN2C1N=CC=C2N2[C@H](CNCC2)C | 3 |
[NH2:1][C:2]1[N:3]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH:4]=[C:5]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]#[CH:13])[N:6]=1.[N:21]([CH2:24][CH2:25][NH:26][C:27](=[O:42])[C:28]1[CH:33]=[CH:32][C:31]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])=[CH:30][CH:29]=1)=[N+:22]=[N-:23]>>[NH2:1][C:2]1[N:3]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH:4]=[C:5]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]2[N:23]=[N:22][N:21]([CH2:24][CH2:25][NH:26][C:27](=[O:42])[C:28]3[CH:33]=[CH:32][C:31]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])=[CH:30][CH:29]=3)[CH:13]=2)[N:6]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=[CH:5][C:4]=1[CH2:11]O.C1CCN2C(=NCCC2)CC1.C1C=CC(P([N:38]=[N+:39]=[N-:40])(C2C=CC=CC=2)=O)=CC=1>C1(C)C=CC=CC=1>[N:38]([CH2:11][C:4]1[CH:5]=[CH:6][C:7]([O:9][CH3:10])=[CH:8][C:3]=1[O:2][CH3:1])=[N+:39]=[N-:40] | 2 |
C(C)C(CN)CCCC.C(\C=C\C)(=O)OC>CCCCCC>C(C)C(CNC(\C=C\C)=O)CCCC | 3 |
O=C1N(C(CC1)=O)OC(CNC(OC(C)(C)C)=O)=O.N1CC(C1)N1N=CC(=C1)C=1N=C(C=2N(C1)N=CC2)C=2C=NN(C2)C(CC)CC>ClCCl.CCN(CC)CC.O1CCOCC1>NCC(=O)N1CC(C1)N1N=CC(=C1)C=1N=C(C=2N(C1)N=CC2)C=2C=NN(C2)C(CC)CC | 3 |
C1([C:4]2[NH:8][N:7]=[C:6]([NH:9][C:10]3[C:18]([F:19])=[CH:17][C:13]([C:14]([NH2:16])=O)=[C:12](N[C@H](C4C=CC(F)=CC=4)C)[N:11]=3)[CH:5]=2)CC1.[F:30][C:31]1[CH:36]=[CH:35][C:34]([C@@H:37]([NH2:39])[CH3:38])=[CH:33][CH:32]=1.CCN(C(C)C)[CH:43]([CH3:45])[CH3:44].CCCC[OH:53]>>[F:19][C:18]1[C:10]([NH:9][C:6]2[CH:5]=[C:4]([O:53][CH:43]([CH3:45])[CH3:44])[NH:8][N:7]=2)=[N:11][C:12]([NH:39][C@H:37]([C:34]2[CH:35]=[CH:36][C:31]([F:30])=[CH:32][CH:33]=2)[CH3:38])=[C:13]([CH:17]=1)[C:14]#[N:16] | 1 |
Cl.NCC(=O)N1CSC[C@H]1C#N.FC1(C2CN(CC12)C=1C=C2C(=CC=NC2=CC1)C(=O)O)F>CC#N.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.C(O)([O-])=O.[Na+].CCN=C=NCCCN(C)C>C(#N)[C@H]1N(CSC1)C(CNC(=O)C1=CC=NC2=CC=C(C=C12)N1CC2C(C2C1)(F)F)=O | 3 |
CN1CCNCC1.ClC1=C2C(=NC=C1)C=C(S2)C(=O)Cl>ClCCl.CCN(CC)CC>ClC1=C2C(=NC=C1)C=C(S2)C(=O)N2CCN(CC2)C | 3 |
[NH:1]([C:13]([O:15][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:14])[C@H:2]([C:10](O)=[O:11])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.O[N:24]1C(=O)CC[C:25]1=O.C1(N=C=NC2CCCCC2)CCCCC1>C1COCC1>[NH:1]([C:13]([O:15][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:14])[C@H:2]([C:10]([NH:24][CH3:25])=[O:11])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
NC1CCN(CC1)CC1=CC=CC=C1.ClC1=C(C(=O)NC2=CC(=CC=C2)Cl)C=CC=N1>C([O-])([O-])=O.[K+].[K+].C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>C(C1=CC=CC=C1)N1CCC(CC1)NC1=C(C(=O)NC2=CC(=CC=C2)Cl)C=CC=N1 | 3 |
Br[CH2:2][C:3]([N:5]1[CH2:10][CH2:9][N:8]([C:11]2[CH:16]=[CH:15][C:14]([C:17]([O:26]COC)([C:22]([F:25])([F:24])[F:23])[C:18]([F:21])([F:20])[F:19])=[CH:13][C:12]=2[CH2:30][CH2:31][CH3:32])[CH2:7][C@@H:6]1[CH3:33])=[O:4].CC(O[C:38]1[CH:39]=[C:40]([C:44]2([CH3:51])[NH:48][C:47](=[O:49])[NH:46][C:45]2=[O:50])[CH:41]=[CH:42][CH:43]=1)C>>[F:20][C:18]([F:19])([F:21])[C:17]([C:14]1[CH:15]=[CH:16][C:11]([N:8]2[CH2:9][CH2:10][N:5]([C:3](=[O:4])[CH2:2][N:46]3[C:45](=[O:50])[C:44]([C:40]4[CH:39]=[CH:38][C:43]([O:26][CH:17]([CH3:18])[CH3:14])=[CH:42][CH:41]=4)([CH3:51])[NH:48][C:47]3=[O:49])[C@@H:6]([CH3:33])[CH2:7]2)=[C:12]([CH2:30][CH2:31][CH3:32])[CH:13]=1)([OH:26])[C:22]([F:23])([F:25])[F:24] | 1 |
CS(=O)(=O)Cl.ClC1=C(C(=CC=C1F)Cl)C(C)O>N(C)(C)C=O.ClCCl.CCN(CC)CC>CS(=O)(=O)OC(C)C1=C(C(=CC=C1Cl)F)Cl | 3 |
Cl.NCC1=C(C=CC(=C1)C(CC)(C)C)O>O.Cl.ICl>NCC1=C(C(=CC(=C1)C(CC)(C)C)I)Cl | 3 |
[OH:1][C@@H:2]1[CH2:7][CH2:6][C@H:5]([NH:8][C:9]2[N:14]=[C:13]([C:15](OCC)=[O:16])[C:12]([N+:20]([O-])=O)=[C:11]([NH:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=3[O:30][CH3:31])[N:10]=2)[CH2:4][CH2:3]1.ClC1N=C([C:39](OCC)=[O:40])C([N+]([O-])=O)=C(NC2C=CC=CC=2OC)N=1.[NH2:56][C@@H]1CC[C@H](O)CC1.C(N(C(C)C)CC)(C)C>CN(C)C=O>[OH:1][C@@H:2]1[CH2:7][CH2:6][C@H:5]([NH:8][C:9]2[N:10]=[C:11]3[C:12]([NH:20][C:39](=[O:40])[N:23]3[C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=3[O:30][CH3:31])=[C:13]([C:15]([NH2:56])=[O:16])[N:14]=2)[CH2:4][CH2:3]1 | 1 |
ClC1=CC=C(C=C1)CC(C(C)OS(=O)(=O)C)C1=CC(=CC=C1)C#N>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>ClC1=CC=C(C=C1)CC(C(C)N=[N+]=[N-])C1=CC(=CC=C1)C#N | 3 |
NC=1C=CC(=C(C1)CSC1=NC(=CC(=N1)O)C)Cl>CO[H].Cl>Cl.NC=1C=CC(=C(C1)CSC1=NC(=CC(=N1)O)C)Cl | 3 |
C(C)OC(=O)C1=C(N(C(C(=C1NC1=C(C=C(C=C1)C)F)C)=O)C)C>N(C)(C)C=O.BrN1C(CCC1=O)=O>C(C)OC(=O)C1=C(N(C(C(=C1NC1=C(C=C(C=C1)C)F)C)=O)C)CBr | 3 |
[N:1]1[N:5]2[C:6]([CH:10](O)[CH3:11])=[CH:7][CH:8]=[N:9][C:4]2=[N:3][CH:2]=1.S(Cl)([Cl:15])=O>ClCCl>[Cl:15][CH:10]([C:6]1[N:5]2[N:1]=[CH:2][N:3]=[C:4]2[N:9]=[CH:8][CH:7]=1)[CH3:11] | 1 |
NC1CCOCC1.ClC1=NC(=NC(=C1)C)NC(NC1=CC(=C(C=C1)Cl)Cl)=N>>ClC=1C=C(C=CC1Cl)NC(NC1=NC(=CC(=N1)NC1CCOCC1)C)=N | 5 |
[NH2:1][CH:2]1[N:8]=[C:7]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:6]2[CH:15]=[CH:16][CH:17]=[CH:18][C:5]=2[NH:4][C:3]1=[O:19].[C:20]([NH:27][C@H:28]([C:36](O)=[O:37])[CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21].C(Cl)CCl.C(N(CC)CC)C>CN(C=O)C>[C:23]([O:22][C:20]([NH:27][C@@H:28]([CH2:29][C:30]1[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=1)[C:36]([NH:1][CH:2]1[N:8]=[C:7]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:6]2[CH:15]=[CH:16][CH:17]=[CH:18][C:5]=2[NH:4][C:3]1=[O:19])=[O:37])=[O:21])([CH3:26])([CH3:24])[CH3:25] | 1 |
C(=O)(O)[O-].[Na+].[NH2:6][C:7]1[N:11]([C:12]2[CH:13]=[C:14]([CH2:22][C:23]([NH2:25])=[O:24])[C:15]3[C:20]([CH:21]=2)=[CH:19][CH:18]=[CH:17][CH:16]=3)[N:10]=[C:9]([C:26]([CH3:29])([CH3:28])[CH3:27])[CH:8]=1.[C:30](Cl)([O:32][CH2:33][C:34]([Cl:37])([Cl:36])[Cl:35])=[O:31]>C(OCC)(=O)C>[NH2:25][C:23](=[O:24])[CH2:22][C:14]1[C:15]2[C:20](=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:21]=[C:12]([N:11]2[C:7]([NH:6][C:30](=[O:31])[O:32][CH2:33][C:34]([Cl:37])([Cl:36])[Cl:35])=[CH:8][C:9]([C:26]([CH3:29])([CH3:28])[CH3:27])=[N:10]2)[CH:13]=1 | 1 |
[CH2:1](I)I.[Cl:4][C:5]1[CH:15]=[CH:14][C:8](/[CH:9]=[CH:10]/[C:11]([OH:13])=[O:12])=[CH:7][CH:6]=1>C(Cl)Cl.[Zn]>[Cl:4][C:5]1[CH:6]=[CH:7][C:8]([C@@H:9]2[CH2:1][C@H:10]2[C:11]([OH:13])=[O:12])=[CH:14][CH:15]=1 | 1 |
CS(=O)(=O)C1=NC=CC(=N1)\C=C/1\C(NC(S1)=O)=O>CS(=O)C.C(C)(=O)[O-].[NH4+]>NC1=NC=CC(=N1)\C=C/1\C(NC(S1)=O)=O | 3 |
C(#N)CC(=O)N.NC=1C2=C(N=CN1)N(C=C2C2=CC=C(C=C2)Cl)C=2C=C(C=O)C=CC2>>NC=1C2=C(N=CN1)N(C=C2C2=CC=C(C=C2)Cl)C=2C=C(C=CC2)/C=C(/C(=O)N)\C#N | 5 |
ClC1=NC2=CC=C(C=C2C(=N1)Cl)OC.C(C)N[C@@H]1CNCC1>CCO[H]>ClC1=NC2=CC=C(C=C2C(=N1)N1C[C@H](CC1)NCC)OC | 3 |
C(C)(C)(C)OC(=O)N1C(CC(CC1)C(=O)O)C>C1CCCO1.[Cl-].[NH4+].B.C1CCOC1>OCC1CC(N(CC1)C(=O)OC(C)(C)C)C | 3 |
N[N:2]1[C:14]2[CH:13]=[N:12][CH:11]=[CH:10][C:9]=2[C:8]2[C:3]1=[CH:4][C:5](Cl)=[CH:6][CH:7]=2.[F:16][C:17]1[CH:18]=[C:19]([CH:23]=[CH:24][C:25]=1[F:26])[C:20](Cl)=O.[OH-:27].[Na+].[ClH:29].[N:30]1C=CC=CC=1>O>[Cl:29][C:6]1[CH:7]=[C:8]2[C:3](=[C:4]([NH:30][C:20](=[O:27])[C:19]3[CH:23]=[CH:24][C:25]([F:26])=[C:17]([F:16])[CH:18]=3)[CH:5]=1)[NH:2][C:14]1[CH:13]=[N:12][CH:11]=[CH:10][C:9]2=1 | 1 |
ClC=1C=CC(=C(C1)B(O)O)F.BrC=1C=C(C=NC1)NC(C(=O)N)C1=C(C=CC=C1)C>O.C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(OC)COC>ClC=1C=CC(=C(C1)C=1C=C(C=NC1)NC(C(=O)N)C1=C(C=CC=C1)C)F | 3 |
Cl.F[C@H]1CNCC1.NC=1SC=C2C(=NN(C(C21)=O)C2=CC=C(C=C2)OC)C(=O)O>>NC=1SC=C2C1C(N(N=C2C(=O)N2C[C@@H](CC2)F)C2=CC=C(C=C2)OC)=O | 5 |
[C:1]1([N:7]2[CH:11]=[CH:10][C:9]([CH:12]=[O:13])=[CH:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Mg].Br[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]>>[OH:13][CH:12]([C:9]1[CH:10]=[CH:11][N:7]([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)[CH:8]=1)[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20] | 1 |
CN1C=NC(=C1C=1SC=2N=CN=C(C2N1)SC)C1=CC=CC=C1>N(C)(C)C=O.C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>C(C)(C)N(C=1C2=C(N=C(N1)C=O)SC(=N2)C2=C(N=CN2C)C2=CC=CC=C2)C(C)C | 3 |
[F:1][C:2]1[CH:8]=[CH:7][CH:6]=[CH:5][C:3]=1[NH2:4].N1C=CC=CC=1.[Cl:15][CH2:16][CH2:17][C:18](Cl)=[O:19]>ClCCCl>[Cl:15][CH2:16][CH2:17][C:18]([NH:4][C:3]1[CH:5]=[CH:6][CH:7]=[CH:8][C:2]=1[F:1])=[O:19] | 1 |
[F:1][C:2]([F:18])([F:17])[C:3]1[CH:4]=[C:5]([CH:14]=[CH:15][CH:16]=1)[O:6][CH:7]1[CH2:10][N:9]([C:11](Cl)=[O:12])[CH2:8]1.C(=O)([O-])[O-].[K+].[K+].O1CCCC1.[NH2:30][C:31]1[CH:36]=[CH:35][C:34]([CH3:37])=[CH:33][CH:32]=1>O>[CH3:37][C:34]1[CH:35]=[CH:36][C:31]([NH:30][C:11]([N:9]2[CH2:10][CH:7]([O:6][C:5]3[CH:14]=[CH:15][CH:16]=[C:3]([C:2]([F:18])([F:17])[F:1])[CH:4]=3)[CH2:8]2)=[O:12])=[CH:32][CH:33]=1 | 1 |
CCCC[Sn](CCCC)(CCCC)C=C.N1C(CNCC1)=O.BrC1=C2C=CC=NC2=C(C(=N1)C(=O)NCC1=CC=C(C=C1)F)O>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].O1CCOCC1>FC1=CC=C(CNC(=O)C2=NC(=C3C=CC=NC3=C2O)CCN2CC(NCC2)=O)C=C1 | 3 |
CN1CCNCC1.ClC1=CC=C(C=C1)C1CC(C2=CC=CC=C12)=O>>ClC1=CC=C(C=C1)C1CC(C2=CC=CC=C12)N1CCN(CC1)C | 5 |
C(C)(C)(C)OC(C[C@@]1([C@@H]2C=CC[C@@H]2C1)C[N+](=O)[O-])=O>O.[Fe].CCO[H].[Cl-].[NH4+]>C(C)(C)(C)OC(C[C@@]1([C@@H]2C=CC[C@@H]2C1)CN)=O | 3 |
[NH:1]1[C:9](=O)[C:8]2[NH:7][CH:6]=[N:5][C:4]=2[N:3]=[CH:2]1.[NH3:11]>P(Cl)(Cl)(Cl)=O.C1COCC1>[N:1]1[C:9]([NH2:11])=[C:8]2[C:4]([N:5]=[CH:6][NH:7]2)=[N:3][CH:2]=1 | 1 |
C(C)OC(CCC(=O)C1=C(C=CC(=C1)OC1=CC(=CC=C1)Cl)OCC1=CC=CC=C1)=O>C(=O)(C(F)(F)F)O.C1(=CC=CC=C1)SC>C(C)OC(CCC(=O)C1=C(C=CC(=C1)OC1=CC(=CC=C1)Cl)O)=O | 3 |
BrC1=CC=C(C=C1)[C@H](C)N1C(N[C@](CCC1)(C1=CC=CC=C1)CCCO)=O>CC(=O)C.CC(=O)C.OS(=O)(=O)O.O=[Cr](=O)=O>BrC1=CC=C(C=C1)[C@H](C)N1C(N[C@](CCC1)(C1=CC=CC=C1)CCC(=O)O)=O | 3 |
Cl.[NH:2]1[CH2:7][CH2:6][CH:5]([NH:8][C:9]2[O:10][C:11]3[CH:17]=[CH:16][C:15]([O:18][CH2:19][C:20]4[NH:24][N:23]=[N:22][N:21]=4)=[CH:14][C:12]=3[N:13]=2)[CH2:4][CH2:3]1.[CH2:25]([O:27][C:28]1[CH:29]=[C:30]([CH:33]=[C:34]([O:37][CH2:38][CH3:39])[C:35]=1[F:36])[CH:31]=O)[CH3:26].C([BH3-])#N.[Na+].C(N(C(C)C)C(C)C)C>C(O)C.C(O)(=O)C>[CH2:25]([O:27][C:28]1[CH:29]=[C:30]([CH:33]=[C:34]([O:37][CH2:38][CH3:39])[C:35]=1[F:36])[CH2:31][N:2]1[CH2:7][CH2:6][CH:5]([NH:8][C:9]2[O:10][C:11]3[CH:17]=[CH:16][C:15]([O:18][CH2:19][C:20]4[NH:24][N:23]=[N:22][N:21]=4)=[CH:14][C:12]=3[N:13]=2)[CH2:4][CH2:3]1)[CH3:26] | 2 |
ClC1=C(C(=O)OC)C=C(C(=C1C)Cl)F>Cl.[OH-].[Na+].C(C)O.O>ClC1=C(C(=O)O)C=C(C(=C1C)Cl)F | 3 |
C[Si]([N:5]=[C:6]=[O:7])(C)C.[Cl:8][C:9]1[S:13][C:12]([C:14]([NH:16][C:17]2[CH:25]=[CH:24][CH:23]=[C:22]3[C:18]=2[C:19](=[O:35])[N:20]([CH2:27][CH2:28][CH:29]2[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]2)[C:21]3=[O:26])=[O:15])=[CH:11][CH:10]=1>ClCCl>[Cl:8][C:9]1[S:13][C:12]([C:14]([NH:16][C:17]2[CH:25]=[CH:24][CH:23]=[C:22]3[C:18]=2[C:19](=[O:35])[N:20]([CH2:27][CH2:28][CH:29]2[CH2:34][CH2:33][N:32]([C:6]([NH2:5])=[O:7])[CH2:31][CH2:30]2)[C:21]3=[O:26])=[O:15])=[CH:11][CH:10]=1 | 1 |
ClC1=CC=C(N)C=C1.FC(C=1C=C(C(=O)NC=2C=C(C(=O)O)C=CC2)C=C(C1)C(F)(F)F)(F)F>C1CCCO1.C(C)(C)N(C(C)C)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>ClC1=CC=C(C=C1)NC(=O)C=1C=C(C=CC1)NC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)=O | 3 |
Cl[Si](CC)(CC)CC.OC1C2C=CC(C1)N2C(=O)OC(C)(C)C>ClCCl.CCN(CC)CC>C(C)[Si](OC1C2C=CC(C1)N2C(=O)OC(C)(C)C)(CC)CC | 3 |
CC1=CC(=C(C(=O)O)C=C1)N1CCSCC1>O.C(C)(=O)OCC.S(=O)(=O)(O[O-])[O-].[K+].[K+].S(=O)(=O)(O[O-])[O-].[K+].[K+].S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>O=S1(CCN(CC1)C1=C(C(=O)O)C=CC(=C1)C)=O | 3 |
Cl[C:2]1[CH:3]=[CH:4][C:5]([N+:9]([O-:11])=[O:10])=[C:6]([NH2:8])[CH:7]=1.[N:12]1([CH2:18][CH2:19][CH2:20][NH2:21])[CH2:17][CH2:16][O:15][CH2:14][CH2:13]1.C([O-])([O-])=O.[K+].[K+].O>CN(C=O)C>[N:12]1([CH2:18][CH2:19][CH2:20][NH:21][C:2]2[CH:3]=[CH:4][C:5]([N+:9]([O-:11])=[O:10])=[C:6]([NH2:8])[CH:7]=2)[CH2:17][CH2:16][O:15][CH2:14][CH2:13]1 | 1 |
[C:1]([O:5][C:6]([NH:8][CH2:9][CH2:10][CH2:11][C:12]([OH:14])=[O:13])=[O:7])([CH3:4])([CH3:3])[CH3:2].O[N:16]1[C:20](=[O:21])[CH2:19][CH2:18][C:17]1=[O:22].CN(C=O)C.Cl.CN(C)CCCN=C=NCC>CCOCC>[C:1]([O:5][C:6]([NH:8][CH2:9][CH2:10][CH2:11][C:12]([O:14][N:16]1[C:20](=[O:21])[CH2:19][CH2:18][C:17]1=[O:22])=[O:13])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
[OH-].[Na+].[CH:3]([N:5]1[CH2:14][CH2:13][C:12]2[C:7](=[CH:8][CH:9]=[C:10]([OH:15])[CH:11]=2)[CH2:6]1)=[O:4].[CH2:16]([CH:18]1[O:20][CH2:19]1)Cl>O>[O:20]1[CH2:19][CH:18]1[CH2:16][O:15][C:10]1[CH:11]=[C:12]2[C:7](=[CH:8][CH:9]=1)[CH2:6][N:5]([CH:3]=[O:4])[CH2:14][CH2:13]2 | 1 |
[Br-].C(#N)CCCC[Zn+].C(C1=CC=CC=C1)C1=CC2=C(N=NC(=C2)Cl)N1>>C(C1=CC=CC=C1)C1=CC2=C(N=NC(=C2)CCCCC#N)N1 | 5 |
NC=1N(C(C2(N1)CC(OC1=CC=C(C=C12)Br)C1=CC=CC=C1)=O)CC1CCCCC1.Cl.NC=1C=C(C=C(C1)C#N)B(O)O>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>NC=1C=C(C#N)C=C(C1)C=1C=C2C(=CC1)OC(CC21N=C(N(C1=O)C)N)C1=CC=CC=C1 | 3 |
C(C)N1CCNCC1.FC=1C=C2C=3C(C(CCC3N(C2=CC1)CC1=CC=C(C(=O)OC)C=C1)=C)=O>C1(=CC=CC=C1)C>C(C)N1CCN(CC1)CC1CCC=2N(C3=CC=C(C=C3C2C1=O)F)CC1=CC=C(C(=O)OC)C=C1 | 3 |
[C:1]1([S:7][CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[F:9][C:10]1[CH:15]=[CH:14][C:13]([CH2:16][C:17](O)=[O:18])=[CH:12][CH:11]=1>>[F:9][C:10]1[CH:15]=[CH:14][C:13]([CH2:16][C:17]([C:4]2[CH:5]=[CH:6][C:1]([S:7][CH3:8])=[CH:2][CH:3]=2)=[O:18])=[CH:12][CH:11]=1 | 1 |
P(Cl)(Cl)([Cl:3])=O.O[C:7]1[C:12]([O:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[CH:11][N:10]=[CH:9][N:8]=1>>[Cl:3][C:7]1[C:12]([O:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[CH:11][N:10]=[CH:9][N:8]=1 | 1 |
CN.BrC=1C=C2C(=NC(=NC2=CC1)C=1C=NC=CC1)O>N(C)(C)C=O.O.C1CCCO1.C1CCC2=NCCCN2CC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>BrC=1C=C2C(=NC(=NC2=CC1)C=1C=NC=CC1)NC | 3 |
C(O)(C)C.[CH3:5][C:6]1[CH:7]=[CH:8][C:9]([NH:25][C:26]([C:28]2[CH:29]=[CH:30][C:31]([CH2:34][N:35]3[CH2:40][CH2:39][N:38]([CH3:41])[CH2:37][CH2:36]3)=[CH:32][CH:33]=2)=[O:27])=[CH:10][C:11]=1[NH:12][C:13]1[N:14]=[CH:15][CH:16]=[C:17]([C:19]2[CH:20]=[CH:21][CH:22]=[N:23][CH:24]=2)[N:18]=1.[CH3:42][S:43]([OH:46])(=[O:45])=[O:44]>O>[CH3:5][C:6]1[CH:7]=[CH:8][C:9]([NH:25][C:26]([C:28]2[CH:33]=[CH:32][C:31]([CH2:34][N:35]3[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]3)=[CH:30][CH:29]=2)=[O:27])=[CH:10][C:11]=1[NH:12][C:13]1[N:14]=[CH:15][CH:16]=[C:17]([C:19]2[CH:20]=[CH:21][CH:22]=[N:23][CH:24]=2)[N:18]=1.[CH3:42][S:43]([OH:46])(=[O:45])=[O:44] | 1 |
ClC1=C(C(=CC=C1)[N+](=O)[O-])Cl>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=C(C=CC=C1[N+](=O)[O-])Cl | 5 |
[C:1]([CH2:3][CH2:4][C:5]1[S:9][C:8]([C:10]2[NH:11][C:12]3[C:17]([CH:18]=2)=[CH:16][CH:15]=[CH:14][C:13]=3[N:19]([CH3:28])[S:20]([C:23]2[S:24][CH:25]=[CH:26][CH:27]=2)(=[O:22])=[O:21])=[N:7][CH:6]=1)#[N:2].C([Sn](=O)CCCC)CCC.C[Si]([N:43]=[N+:44]=[N-:45])(C)C>O1CCCC1>[CH3:28][N:19]([C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:12]=1[NH:11][C:10]([C:8]1[S:9][C:5]([CH2:4][CH2:3][C:1]3[N:43]=[N:44][NH:45][N:2]=3)=[CH:6][N:7]=1)=[CH:18]2)[S:20]([C:23]1[S:24][CH:25]=[CH:26][CH:27]=1)(=[O:22])=[O:21] | 1 |
COC(CC1CCN(CC1)C=1C=C2C(N(C(C2=CC1)=O)C1C(NC(CC1)=O)=O)=O)OC>C1CCCO1.Cl.C(O)([O-])=O.[Na+]>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1=O)N1CCC(CC1)CC=O)=O)=O | 3 |
[CH3:1][N:2]([CH3:39])[C@@H:3]1[CH2:7][CH2:6][N:5]([C:8]2[N:13]3[CH:14]=[C:15]([CH2:17][N:18]([C@H:29]([C:31]4C=CC(OC)=C[CH:32]=4)C)[C@@H:19]4[C:28]5[N:27]=[CH:26][CH:25]=[CH:24][C:23]=5[CH2:22][CH2:21][CH2:20]4)[N:16]=[C:12]3[CH:11]=[CH:10][CH:9]=2)[CH2:4]1.C(=O)CC>>[CH3:1][N:2]([CH3:39])[C@@H:3]1[CH2:7][CH2:6][N:5]([C:8]2[N:13]3[CH:14]=[C:15]([CH2:17][N:18]([CH2:29][CH2:31][CH3:32])[C@@H:19]4[C:28]5[N:27]=[CH:26][CH:25]=[CH:24][C:23]=5[CH2:22][CH2:21][CH2:20]4)[N:16]=[C:12]3[CH:11]=[CH:10][CH:9]=2)[CH2:4]1 | 2 |
[C:1]1([CH:7]2[C:15]3[O:14][C:13](=O)[NH:12][C:11](=[O:17])[C:10]=3[CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O.[NH3:19]>>[C:1]1([CH:7]2[C:15]3[NH:19][C:13](=[O:14])[NH:12][C:11](=[O:17])[C:10]=3[CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
CC(C)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CN2>[N+](O[H])([H])([H])[H].[Cl-].CS(=O)C.C(O)([O-])=O.[Na+]>CC(C)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O)CCC)N=CN2 | 3 |
Cl.OC1CNC1.ClC=1C=CC2=C(C(=C(O2)C(C(F)(F)F)NC(NC=2C=NC(=NC2)Cl)=O)C)C1>CCN(CC)CC.CS(=O)C>ClC=1C=CC2=C(C(=C(O2)C(C(F)(F)F)NC(NC=2C=NC(=NC2)N2CC(C2)O)=O)C)C1 | 3 |
C(C1=CC(C(=O)O)=CC=C1)(=O)O.C(CCC)C=1OC2=C(C1C=1OC(=CN1)C=1C=C3C=CC(=CC3=CC1)OCC1=C(C=C(C(=O)OC)C=C1)C(=O)OC)C=CC=C2>O.C1CCCO1.CO[H].[OH-].[Na+]>C(CCC)C=1OC2=C(C1C=1OC(=CN1)C=1C=C3C=CC(=CC3=CC1)OCC1=C(C=C(C(=O)O)C=C1)C(=O)O)C=CC=C2 | 3 |
Cl.[NH2:2][CH2:3][CH2:4][C:5]([OH:7])=[O:6].[C:8]([NH:15][C@H:16]([C:29]([OH:31])=O)[CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9].F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=C[C:42]=2N=N1.CCN(CC)CC>CN(C=O)C>[C:11]([O:10][C:8]([NH:15][C@@H:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[C:29]([NH:2][CH2:3][CH2:4][C:5]([O:7][CH3:42])=[O:6])=[O:31])=[O:9])([CH3:14])([CH3:13])[CH3:12] | 2 |
Cl[C:2]1[N:7]=[C:6]([C:8]2[S:12][C:11]([N:13]3[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]3)=[N:10][C:9]=2[C:19]2[CH:20]=[C:21]([NH:25][C:26](=[O:35])[C:27]3[C:32]([F:33])=[CH:31][CH:30]=[CH:29][C:28]=3[F:34])[CH:22]=[CH:23][CH:24]=2)[CH:5]=[CH:4][N:3]=1.Cl.Cl.[NH2:38][C:39]1[CH:44]=[CH:43][C:42]([O:45][CH2:46][CH2:47][N:48]([CH3:50])[CH3:49])=[C:41]([Cl:51])[CH:40]=1>>[Cl:51][C:41]1[CH:40]=[C:39]([NH:38][C:2]2[N:7]=[C:6]([C:8]3[S:12][C:11]([N:13]4[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]4)=[N:10][C:9]=3[C:19]3[CH:20]=[C:21]([NH:25][C:26](=[O:35])[C:27]4[C:28]([F:34])=[CH:29][CH:30]=[CH:31][C:32]=4[F:33])[CH:22]=[CH:23][CH:24]=3)[CH:5]=[CH:4][N:3]=2)[CH:44]=[CH:43][C:42]=1[O:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50] | 2 |
C([Li])CCC.C(NC(C)C)(C)C.[C:13]([OH:22])(=[O:21])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[O:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH:24]1[O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH:35]=[O:36].[Cl-].[NH4+]>CCCCCC.C1COCC1>[CH2:15]([CH:14]([CH:35]([OH:36])[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][O:29][CH:24]1[CH2:25][CH2:26][CH2:27][CH2:28][O:23]1)[C:13]([OH:22])=[O:21])[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20] | 2 |
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]([OH:8])=[O:7].C(Cl)(=O)C(Cl)=O.[C:15](O)([CH3:18])([CH3:17])[CH3:16]>C(Cl)Cl.CN(C=O)C>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]([O:8][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:7] | 2 |
[F:1][C:2]1([F:33])[O:6][C:5]2[CH:7]=[CH:8][C:9]([C:11]3([C:14]([NH:16][C:17]4[N:22]=[C:21]([C:23]5[C:24]([O:29]C)=[N:25][CH:26]=[CH:27][CH:28]=5)[C:20]([CH3:31])=[C:19]([CH3:32])[CH:18]=4)=[O:15])[CH2:13][CH2:12]3)=[CH:10][C:4]=2[O:3]1.Cl.C(N(CC)CC)C>O1CCOCC1>[F:33][C:2]1([F:1])[O:6][C:5]2[CH:7]=[CH:8][C:9]([C:11]3([C:14]([NH:16][C:17]4[CH:18]=[C:19]([CH3:32])[C:20]([CH3:31])=[C:21]([C:23]5[C:24](=[O:29])[NH:25][CH:26]=[CH:27][CH:28]=5)[N:22]=4)=[O:15])[CH2:13][CH2:12]3)=[CH:10][C:4]=2[O:3]1 | 1 |
C(OC([N:8]1[CH2:13][CH2:12][C@@H:11]([C:14]2[CH:15]=[C:16]3[C:25](=[CH:26][C:27]=2[C:28]2[C:33]([F:34])=[CH:32][CH:31]=[CH:30][C:29]=2[F:35])[O:24][CH2:23][C:22]2[N:17]3[C@H:18]([CH3:37])[C:19](=[O:36])[NH:20][N:21]=2)[C@@H:10]([CH3:38])[CH2:9]1)=O)(C)(C)C.[ClH:39]>>[ClH:39].[F:34][C:33]1[CH:32]=[CH:31][CH:30]=[C:29]([F:35])[C:28]=1[C:27]1[CH:26]=[C:25]2[C:16]([N:17]3[C:22]([CH2:23][O:24]2)=[N:21][NH:20][C:19](=[O:36])[C@H:18]3[CH3:37])=[CH:15][C:14]=1[C@@H:11]1[CH2:12][CH2:13][NH:8][CH2:9][C@@H:10]1[CH3:38] | 1 |
SC=1SC2=C(N1)C=CC=C2.BrC1=CC=C(C=C1)C(C)=O>CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>S1C(=NC2=C1C=CC=C2)SC2=CC=C(C=C2)C(C)=O | 3 |
C(C=1C(O)=CC=CC1)(=O)OC.C(C(C)C)[Al](CC(C)C)CC(C)C.N1C=CC2=C(C=CC=C12)N>C1(=CC=CC=C1)C.C(Cl)(Cl)(Cl)[H].ClCCl.Cl>N1C=CC2=C(C=CC=C12)NC1=C(C=CC=C1)O | 3 |
COC1=C(C=C(C=C1)C(F)(F)F)B(O)O.BrC1=NN(C2=NC(=NC=C21)N)C>>COC1=C(C=C(C=C1)C(F)(F)F)C1=NN(C2=NC(=NC=C21)N)C | 5 |
[CH:1]([C:3]1[CH:4]=[CH:5][C:6]([C:15]([O:17][CH3:18])=[O:16])=[N:7][C:8]=1[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)=O.[NH:19]1[CH2:24][CH2:23][O:22][CH2:21][CH2:20]1>C(Cl)Cl>[O:22]1[CH2:23][CH2:24][N:19]([CH2:1][C:3]2[CH:4]=[CH:5][C:6]([C:15]([O:17][CH3:18])=[O:16])=[N:7][C:8]=2[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH2:20][CH2:21]1 | 2 |
C(C=C)Cl.SC1=NC=CC=N1>CCO[H]>C(C=C)SC1=NC=CC=N1 | 3 |
[NH2:1][C:2]1[N:3]([CH3:8])[O:4][C:5](=[O:7])[CH:6]=1.[N+:9]([C:12]1[CH:13]=[C:14]([CH:17]=[CH:18][C:19]=1[Cl:20])[CH:15]=O)([O-:11])=[O:10].[O:21]1[CH2:26][C:25](=O)[CH2:24][C:23](=[O:28])[CH2:22]1>C(O)C>[Cl:20][C:19]1[CH:18]=[CH:17][C:14]([CH:15]2[C:24]3[C:23](=[O:28])[CH2:22][O:21][CH2:26][C:25]=3[NH:1][C:2]3[N:3]([CH3:8])[O:4][C:5](=[O:7])[C:6]2=3)=[CH:13][C:12]=1[N+:9]([O-:11])=[O:10] | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:14]([C:15]3[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=3)=[N:13][N:12]([CH2:23][CH:24]3[CH2:26][CH2:25]3)[C:11](=[O:27])[C:10]=2[C:28](O)=[O:29])=[CH:5][CH:4]=1.[CH2:31]([NH2:38])[C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>>[CH2:31]([NH:38][C:28]([C:10]1[C:11](=[O:27])[N:12]([CH2:23][CH:24]2[CH2:26][CH2:25]2)[N:13]=[C:14]([C:15]2[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=2)[C:9]=1[C:6]1[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1)=[O:29])[C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1 | 1 |
[CH3:1][C:2]1[N:3]=[N:4][CH:5]=[CH:6][CH:7]=1.[CH:8](=O)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1>ClCCl.[Cl-].[Zn+2].[Cl-]>[CH:1]([C:2]1[N:3]=[N:4][CH:5]=[CH:6][CH:7]=1)=[CH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1 | 2 |
C(C)OC([C@H](CN1C2=C(C(CCC1)N(C=1N=NN(N1)C)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C=C(C(=C2)C(F)(F)F)C)C)=O>>FC(C=1C=C(CN(C2C3=C(N(CCC2)C[C@@H](C(=O)O)C)C=C(C(=C3)C)C(F)(F)F)C=3N=NN(N3)C)C=C(C1)C(F)(F)F)(F)F | 5 |
CI.BrCC#N.SC1=C(C(=O)O)C=CC=N1>>COC(C1=C(N=CC=C1)SCC#N)=O | 5 |
C([O:3][C:4]([C:6]1[C:7]2[C:15]([CH3:16])=[N:14][N:13]([CH:17]3[CH2:22][CH2:21][CH2:20][CH2:19][O:18]3)[C:8]=2[N:9]=[C:10](Br)[CH:11]=1)=[O:5])C.[CH2:23]([O:30][C:31]1[CH:36]=[CH:35][C:34](B(O)O)=[CH:33][CH:32]=1)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>>[CH2:23]([O:30][C:31]1[CH:36]=[CH:35][C:34]([C:10]2[CH:11]=[C:6]([C:4]([OH:3])=[O:5])[C:7]3[C:15]([CH3:16])=[N:14][N:13]([CH:17]4[CH2:22][CH2:21][CH2:20][CH2:19][O:18]4)[C:8]=3[N:9]=2)=[CH:33][CH:32]=1)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
CNC1=NC=C2C(=N1)N(N=C2C2=CC=C(C=C2)C)CC2CCC(CC2)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC1CCC(CC1)CN1N=C(C=2C1=NC(=NC2)NC)C2=CC=C(C=C2)C | 3 |
ClC=1C=CC(=C(C1)B(O)O)OC.BrC1=CC=2N=NC=C(C2N=C1)NCC1=C(C=C(C=C1)OC)OC>C([O-])([O-])=O.[Na+].[Na+].COCCOC.[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]>ClC=1C=CC(=C(C1)C1=CC=2N=NC=C(C2N=C1)NCC1=C(C=C(C=C1)OC)OC)OC | 3 |
C([O:5][C:6](=[O:38])[C:7]1[CH:12]=[CH:11][C:10]([CH2:13][CH2:14][CH:15]([F:37])[C:16]2[CH:21]=[C:20]([C:22](=[O:35])[NH:23][CH2:24][C:25]3[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:34])([F:33])[F:32])[CH:26]=3)[N:19]=[C:18]([CH3:36])[CH:17]=2)=[CH:9][CH:8]=1)(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[F:37][CH:15]([C:16]1[CH:21]=[C:20]([C:22](=[O:35])[NH:23][CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:34])([F:32])[F:33])[CH:26]=2)[N:19]=[C:18]([CH3:36])[CH:17]=1)[CH2:14][CH2:13][C:10]1[CH:11]=[CH:12][C:7]([C:6]([OH:38])=[O:5])=[CH:8][CH:9]=1 | 2 |
FC1=C(C=CC=C1)[N+](=O)[O-].C(C1=CC=CC=C1)N1C2CC(CC1CC2)N>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>C(C1=CC=CC=C1)N1C2CC(CC1CC2)NC2=C(C=CC=C2)[N+](=O)[O-] | 3 |
C1(CC1)C(C#C)(O)C1CC1.IC1=CC=C(C(=O)NS(=O)(=O)C2=C(C=CC=C2)S(N)(=O)=O)C=C1>[Cu]I.N(C)(C)C=O.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(CC1)C(C#CC1=CC=C(C(=O)NS(=O)(=O)C2=C(C=CC=C2)S(N)(=O)=O)C=C1)(O)C1CC1 | 3 |
[H-].[Na+].[Cl:3][C:4]1[N:9]=[CH:8][N:7]=[C:6]([C:10]([C:12]2[CH:21]=[C:20]([CH3:22])[C:15]3[NH:16][C:17](=[O:19])[O:18][C:14]=3[CH:13]=2)=[O:11])[CH:5]=1.[CH2:23](I)[CH3:24]>CN(C=O)C>[Cl:3][C:4]1[N:9]=[CH:8][N:7]=[C:6]([C:10]([C:12]2[CH:21]=[C:20]([CH3:22])[C:15]3[N:16]([CH2:23][CH3:24])[C:17](=[O:19])[O:18][C:14]=3[CH:13]=2)=[O:11])[CH:5]=1 | 1 |
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