smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH2:1]([C@@H:8]([CH2:12][CH2:13][C@H:14]([CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)[C:15]([NH:17][C@H:18]1[CH2:24][CH2:23][S:22][C@H:21]2[CH2:25][CH2:26][CH2:27][C@@H:28]([C:29]([O:31][CH3:32])=[O:30])[N:20]2[C:19]1=[O:33])=[O:16])[C:9](O)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:41][C@@H:42]1[C:48](=[O:49])[NH:47][C:46]2[CH:50]=[CH:51][CH:52]=[CH:53][C:45]=2[CH2:44][CH2:43]1>>[CH2:34]([C@@H:14]([CH2:13][CH2:12][C@H:8]([CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[C:9](=[O:10])[NH:41][C@@H:42]1[C:48](=[O:49])[NH:47][C:46]2[CH:50]=[CH:51][CH:52]=[CH:53][C:45]=2[CH2:44][CH2:43]1)[C:15]([NH:17][C@H:18]1[CH2:24][CH2:23][S:22][C@H:21]2[CH2:25][CH2:26][CH2:27][C@@H:28]([C:29]([O:31][CH3:32])=[O:30])[N:20]2[C:19]1=[O:33])=[O:16])[C:35]1[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=1 | 1 |
Cl[C:2](OC(Cl)(Cl)Cl)=[O:3].[F:9][C:10]1[CH:16]=[C:15]([Cl:17])[C:14]([O:18][CH:19]2[CH2:23][CH2:22][CH2:21][CH2:20]2)=[CH:13][C:11]=1[NH2:12].C(N(CC)CC)C>C1(C)C=CC=CC=1>[F:9][C:10]1[CH:16]=[C:15]([Cl:17])[C:14]([O:18][CH:19]2[CH2:23][CH2:22][CH2:21][CH2:20]2)=[CH:13][C:11]=1[N:12]=[C:2]=[O:3] | 1 |
[CH2:1]([N:3]([CH2:20][CH3:21])[CH2:4][CH2:5][NH:6]C(C1C=CC2C(=CC=C(I)C=2)C=1)=O)[CH3:2].[I:22][C:23]1[CH:36]=[CH:35][C:26]2[N:27]=[C:28]([C:30]([O:32]CC)=O)[NH:29][C:25]=2[CH:24]=1.IC1C2C=C(C(OC)=O)SC=2C=CC=1>ClCCl.C(O)C>[CH2:1]([N:3]([CH2:20][CH3:21])[CH2:4][CH2:5][NH:6][C:30]([C:28]1[NH:29][C:25]2[CH:24]=[C:23]([I:22])[CH:36]=[CH:35][C:26]=2[N:27]=1)=[O:32])[CH3:2] | 2 |
[F:1][C:2]1[CH:3]=[N:4][CH:5]=[CH:6][C:7]=1[C:8]1[C:9]([C:16]2[CH:17]=[N:18][CH:19]=[CH:20][CH:21]=2)=[N:10][C:11]([NH2:15])=[C:12]([NH2:14])[CH:13]=1.[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([N:29]=[C:30]=S)=[CH:25][CH:24]=1.C(N=C=NC(C)C)(C)C>C(O)C>[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([NH:29][C:30]2[NH:15][C:11]3=[N:10][C:9]([C:16]4[CH:17]=[N:18][CH:19]=[CH:20][CH:21]=4)=[C:8]([C:7]4[CH:6]=[CH:5][N:4]=[CH:3][C:2]=4[F:1])[CH:13]=[C:12]3[N:14]=2)=[CH:25][CH:24]=1 | 1 |
[Br:1][CH2:2][C:3]1[CH:16]=[CH:15][C:6]([C:7]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[O:8])=[CH:5][CH:4]=1.[OH:17][CH2:18][C:19]1[CH:32]=[CH:31][C:22]([C:23]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)=[O:24])=[CH:21][CH:20]=1.[H-].[Na+].[CH2:35](Br)[CH:36]=[CH2:37]>C1COCC1>[Br:1][CH2:2][C:3]1[CH:16]=[CH:15][C:6]([C:7]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[O:8])=[CH:5][CH:4]=1.[CH2:37]([O:17][CH2:18][C:19]1[CH:32]=[CH:31][C:22]([C:23]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)=[O:24])=[CH:21][CH:20]=1)[CH:36]=[CH2:35] | 1 |
ClC=1C=C(C=CC1OC(F)(F)F)O.ClC=1C(=CC(=C(C(=O)OC(C)(C)C)C1)F)F>>ClC=1C(=CC(=C(C(=O)OC(C)(C)C)C1)F)OC1=CC(=C(C=C1)OC(F)(F)F)Cl | 5 |
[N+:1]([C:4]1[CH:5]=[C:6]([N:10]2[CH2:16][C:12]3([CH2:15][O:14][CH2:13]3)[CH2:11]2)[CH:7]=[CH:8][CH:9]=1)([O-])=O.[H][H]>CCO.[Pd]>[CH2:13]1[C:12]2([CH2:11][N:10]([C:6]3[CH:5]=[C:4]([CH:9]=[CH:8][CH:7]=3)[NH2:1])[CH2:16]2)[CH2:15][O:14]1 | 1 |
CC1=C(C=C(C=C1)C1=NOC(=N1)C1CC2(C1)CC(C2)=O)NC(=O)C2=CN=C1N2C=CC=C1>>OC1CC2(CC(C2)C2=NC(=NO2)C=2C=CC(=C(C2)NC(=O)C2=CN=C3N2C=CC=C3)C)C1 | 5 |
I[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([CH:8]=[C:9]([NH:11][C:12]([CH:14]3[CH2:16][CH2:15]3)=[O:13])[N:10]=2)[N:7]=1.[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([OH:24])=[CH:20][C:19]=1[NH:25][CH2:26][C:27]1[N:31]([CH3:32])[N:30]=[C:29]([CH3:33])[CH:28]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([O:24][C:2]2[CH:3]=[CH:4][C:5]3[N:6]([CH:8]=[C:9]([NH:11][C:12]([CH:14]4[CH2:16][CH2:15]4)=[O:13])[N:10]=3)[N:7]=2)=[CH:20][C:19]=1[NH:25][CH2:26][C:27]1[N:31]([CH3:32])[N:30]=[C:29]([CH3:33])[CH:28]=1 | 1 |
[Cl:1][C:2]1[CH:11]=[CH:10][N:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][C:6]([N:12]1[CH:16]([OH:17])[C:15]3[S:18][CH2:19][CH2:20][S:21][C:14]=3[C:13]1=[O:22])=[N:7]2.[H-].[Na+].Cl[C:26]([N:28]1[CH2:33][CH2:32][N:31]([CH3:34])[CH2:30][CH2:29]1)=[O:27]>CN(C)C=O.CS(O)(=O)=O.C(#N)C.C(Cl)Cl>[Cl:1][C:2]1[CH:11]=[CH:10][N:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][C:6]([N:12]1[CH:13]([O:22][C:26]([N:28]3[CH2:33][CH2:32][N:31]([CH3:34])[CH2:30][CH2:29]3)=[O:27])[C:14]3[S:21][CH2:20][CH2:19][S:18][C:15]=3[C:16]1=[O:17])=[N:7]2 | 1 |
C(C)(C)N=C=O.NCCC=1N(N=C2C(=NC=3CCCCC3C21)N)C>>NC1=NC=2CCCCC2C=2C1=NN(C2CCNC(=O)NC(C)C)C | 5 |
O.C[Si]([Cl:6])(C)C.[CH3:7][N:8]([CH2:10][CH:11]1[CH2:19][CH2:18][CH:17]2[CH:13]([CH2:14][CH2:15][CH2:16]2)[C:12]1([C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([OH:27])[CH:22]=1)[OH:20])[CH3:9]>CC(=O)CC>[ClH:6].[CH3:9][N:8]([CH2:10][CH:11]1[CH2:19][CH2:18][CH:17]2[CH:13]([CH2:14][CH2:15][CH2:16]2)[C:12]1([C:21]1[CH:26]=[CH:25][CH:24]=[C:23]([OH:27])[CH:22]=1)[OH:20])[CH3:7] | 1 |
COC=1C=NC=CC1N.ClC=1C=C(C=C(C1)Cl)CS(=O)(=O)Cl>ClCCl.c1ccncc1.B(Br)(Br)Br>ClC=1C=C(C=C(C1)Cl)CS(=O)(=O)NC1=C(C=NC=C1)O | 3 |
FC(F)(F)S(OC1[C:12]([Cl:13])=[CH:11][C:10]([CH3:14])=[CH:9][C:8]=1[Cl:15])(=O)=O.CCO[C:21]([CH3:23])=O.C[N:25](C=O)C>[C-]#N.[C-]#N.[Zn+2].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>[Cl:13][C:12]1[CH:11]=[C:10]([C:14]#[N:25])[CH:9]=[C:8]([Cl:15])[C:21]=1[CH3:23] | 1 |
[Br-].[CH2:2]([O:4][C:5]([C:7]1[CH:32]=[CH:31][C:10]([CH2:11][P+](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=[C:9]([F:33])[CH:8]=1)=[O:6])[CH3:3].[CH:34]([C:36]1[N:41]=[CH:40][C:39]([N:42]2[CH2:47][CH2:46][N:45]([C:48]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])=[O:49])[CH2:44][CH2:43]2)=[CH:38][CH:37]=1)=O>>[CH2:2]([O:4][C:5]([C:7]1[CH:32]=[CH:31][C:10]([CH:11]=[CH:34][C:36]2[N:41]=[CH:40][C:39]([N:42]3[CH2:47][CH2:46][N:45]([C:48]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])=[O:49])[CH2:44][CH2:43]3)=[CH:38][CH:37]=2)=[C:9]([F:33])[CH:8]=1)=[O:6])[CH3:3] | 1 |
BrC/C=C/[C@@H]1OC(OC1)(C)C.CC1(CCN2C3=C(C=CC=C13)NC2=O)C>N(C)(C)C=O.[H-].[Na+]>CC1(OC[C@@H](O1)/C=C/CN1C(N2CCC(C3=CC=CC1=C23)(C)C)=O)C | 3 |
FC1=CC=C(C(=O)NN)C=C1.ClC1=C(CN2C(C(=NC[C@@H]2C)OCC)=O)C=CC=C1C(F)(F)F>C(CCC)O>ClC1=C(CN2C(C=3N(C[C@@H]2C)C(=NN3)C3=CC=C(C=C3)F)=O)C=CC=C1C(F)(F)F | 3 |
[Cl:1][C:2]1[CH:27]=[CH:26][C:5]([CH2:6][CH:7]2[C:16]3[C:11](=[CH:12][CH:13]=[C:14]([OH:17])[CH:15]=3)[CH2:10][CH2:9][CH:8]2[NH:18][C:19](=[O:25])[O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[CH:4][CH:3]=1.ClC1C=C(C=CC=1Cl)CC1C2C(=CC=C(O)C=2)CCC1NC(=O)OC(C)(C)C.[OH-].[K+].Cl[C:59]([F:69])([F:68])C(C1C=CC=CC=1)=O>C(#N)C.C(OCC)(=O)C>[Cl:1][C:2]1[CH:27]=[CH:26][C:5]([CH2:6][CH:7]2[C:16]3[C:11](=[CH:12][CH:13]=[C:14]([O:17][CH:59]([F:69])[F:68])[CH:15]=3)[CH2:10][CH2:9][CH:8]2[NH:18][C:19](=[O:25])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[CH:4][CH:3]=1 | 1 |
[C@H:1]12[N:8]([C:9]([O:11][CH2:12][C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)=[O:10])[CH2:7][C@H:6]1[CH2:5][CH2:4][NH:3][CH2:2]2.Cl[C:20]1[N:25]=[C:24]([CH3:26])[CH:23]=[C:22]([CH3:27])[N:21]=1.C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C>[CH3:27][C:22]1[CH:23]=[C:24]([CH3:26])[N:25]=[C:20]([N:3]2[CH2:4][CH2:5][C@H:6]3[C@H:1]([N:8]([C:9]([O:11][CH2:12][C:13]4[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=4)=[O:10])[CH2:7]3)[CH2:2]2)[N:21]=1 | 1 |
[CH:1]([C:3]1[CH:20]=[CH:19][C:6]([O:7][CH2:8][C:9]2[N:17]([CH3:18])[C:12]3=[N:13][CH:14]=[CH:15][CH:16]=[C:11]3[N:10]=2)=[CH:5][CH:4]=1)=O.[S:21]1[CH2:25][C:24](=[O:26])[NH:23][C:22]1=[O:27].N1CCCCC1>C(O)C>[CH3:18][N:17]1[C:12]2=[N:13][CH:14]=[CH:15][CH:16]=[C:11]2[N:10]=[C:9]1[CH2:8][O:7][C:6]1[CH:19]=[CH:20][C:3]([CH:1]=[C:25]2[S:21][C:22](=[O:27])[NH:23][C:24]2=[O:26])=[CH:4][CH:5]=1 | 1 |
Cl[C:2]1(OCC)[C:11]2[C:6](=[CH:7][C:8]([F:12])=[CH:9][CH:10]=2)[N:5]=[CH:4][CH:3]1[C:13]#[N:14].[Cl:18][C:19]1[CH:20]=[C:21]([NH2:32])[CH:22]=[CH:23][C:24]=1[S:25][C:26]1[N:27]([CH3:31])[CH:28]=[CH:29][N:30]=1.Cl.N1C=CC=CC=1.[CH2:40]([O:42]CCO)[CH3:41]>>[Cl:18][C:19]1[CH:20]=[C:21]([NH:32][C:2]2[C:11]3[C:6](=[CH:7][C:8]([F:12])=[C:9]([O:42][CH2:40][CH3:41])[CH:10]=3)[N:5]=[CH:4][C:3]=2[C:13]#[N:14])[CH:22]=[CH:23][C:24]=1[S:25][C:26]1[N:27]([CH3:31])[CH:28]=[CH:29][N:30]=1 | 1 |
FC1=C(C=CC(=C1)F)Br.CCOC(=O)[C@@H]1N(C(CC1)=O)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N[C@@H](C(=O)OCC)CCC(=O)C1=C(C=C(C=C1)F)F | 5 |
ClC(=O)OC.C(C)(C)(C)OC(N(C1=CC=C(C=C1)N1CCOCC1)C#C)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>COC(C#CN(C1=CC=C(C=C1)N1CCOCC1)C(=O)OC(C)(C)C)=O | 3 |
C([O:4][C@@H:5]1[C@@H:17]([O:18]C(=O)C)[C@H:16]([O:22][C@@H:23]2[O:40][C@H:39]([CH2:41][O:42]C(=O)C)[C@H:34]([O:35]C(=O)C)[C@H:29]([O:30]C(=O)C)[C@H:24]2[O:25]C(=O)C)[C@@H:15]([CH2:46][O:47]C(=O)C)[O:14][C@H:6]1[O:7][CH2:8][CH2:9][Si:10]([CH3:13])([CH3:12])[CH3:11])(=O)C>C[O-].[Na+]>[C@@H:23]1([O:22][C@@H:16]2[C@@H:15]([CH2:46][OH:47])[O:14][C@@H:6]([O:7][CH2:8][CH2:9][Si:10]([CH3:13])([CH3:12])[CH3:11])[C@H:5]([OH:4])[C@H:17]2[OH:18])[O:40][C@H:39]([CH2:41][OH:42])[C@H:34]([OH:35])[C@H:29]([OH:30])[C@H:24]1[OH:25] | 1 |
C(#N)C=1C=C(C(N(C1C)C1=CC(=CC=C1)C(F)(F)F)=O)C(=O)NCC1=CC=C(C=C1)S(=O)(=O)C>>CS(=O)(=O)C1=CC=C(CNC(=O)C=2C(N(C(=C(C2)C(NO)=N)C)C2=CC(=CC=C2)C(F)(F)F)=O)C=C1 | 5 |
O=C(CC(=O)OC)CCCCCCC>C1(=CC=CC=C1)C.S(=O)(=O)(Cl)Cl>ClC(C(=O)OC)C(CCCCCCC)=O | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[O:11][CH2:10][CH2:9][N:8]3[CH:12]=[C:13]([C:15]4[N:19]([CH:20]([CH3:22])[CH3:21])[N:18]=[CH:17][N:16]=4)[N:14]=[C:7]3[C:6]=2[CH:23]=1.[N:24]1[CH:29]=[C:28](B(O)O)[CH:27]=[N:26][CH:25]=1.C([O-])([O-])=O.[Cs+].[Cs+].O>O1CCOCC1>[CH:20]([N:19]1[C:15]([C:13]2[N:14]=[C:7]3[C:6]4[CH:23]=[C:2]([C:28]5[CH:29]=[N:24][CH:25]=[N:26][CH:27]=5)[CH:3]=[CH:4][C:5]=4[O:11][CH2:10][CH2:9][N:8]3[CH:12]=2)=[N:16][CH:17]=[N:18]1)([CH3:22])[CH3:21] | 2 |
COCCl.C1(=CC=CC=C1)C1C(=O)OCC1>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C>C1(=CC=CC=C1)C1(C(=O)OCC1)COC | 3 |
C(C1=CC=CC=C1)OC(=O)N1CC(CC1)(C1=CC(=CC=C1)C(C)C)N=[N+]=[N-]>CCO[H].[HH].[Pd]>C(C)(C)C=1C=C(C=CC1)C1(CNCC1)N | 3 |
CN1C=NC=C1C=1C=CC2=C(N=C(O2)C2=CC(=NC=C2)C(=O)OCC)C1>CO[H].Cl.[OH-].[Na+]>CN1C=NC=C1C=1C=CC2=C(N=C(O2)C2=CC(=NC=C2)C(=O)O)C1 | 3 |
C1=NC=C(C2=CC=CC=C12)C(=O)O>C1(=CC=NC=C1)N(C)C.ClCCl.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C1=NC=C(C2=CC=CC=C12)C(=O)OC | 3 |
[Br:1][C:2]1[C:7]([N+:8]([O-:10])=[O:9])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:11]Br.[CH3:13][C:14]([O-:16])=[O:15].[Na+]>CN(C=O)C.O>[C:14]([O:16][CH2:11][C:3]1[CH:4]=[CH:5][CH:6]=[C:7]([N+:8]([O-:10])=[O:9])[C:2]=1[Br:1])(=[O:15])[CH3:13] | 2 |
C(C)N1C(N(C(C2=CC(=CC=C12)O)=O)CC)=O.ClC=1C=C(C=CC1C#N)NC(CC(CCO)C)=O>>ClC=1C=C(C=CC1C#N)NC(CC(CCOC=1C=C2C(N(C(N(C2=CC1)CC)=O)CC)=O)C)=O | 5 |
Cl.NCCS.CC(C1=CC(=CC=C1)C(F)(F)F)=NOC1=C(C=CC=C1)C(C=O)=NOC>>CON=C(C1=C(C=CC=C1)ON=C(C1=CC(=CC=C1)C(F)(F)F)C)C1SCCN1 | 5 |
N(=[N+]=[N-])CC(CN1C(C=2C(C=3C=C4C(=CC13)CCCC4)=NNC2C)=O)O>CCO[H].[HH].[Pd]>NCC(CN1C(C=2C(C=3C=C4C(=CC13)CCCC4)=NNC2C)=O)O | 3 |
[C@@H:1]1([N:10]2[CH:17]=[CH:16][C:14](=[O:15])[NH:13][C:11]2=[O:12])[O:9][C@H:6]([CH2:7][OH:8])[C@@H:4]([OH:5])[C@H:2]1O.N[C@H](C(O)=O)CC(C)C.N[C@H](C(O)=O)CC(C)C>>[CH2:2]1[C@H:1]([N:10]2[C:11](=[O:12])[NH:13][C:14](=[O:15])[CH:16]=[CH:17]2)[O:9][C@H:6]([CH2:7][OH:8])[C@H:4]1[OH:5].[C@@H:1]1([N:10]2[CH:17]=[CH:16][C:14](=[O:15])[NH:13][C:11]2=[O:12])[O:9][C@H:6]([CH2:7][OH:8])[C@@H:4]([OH:5])[CH2:2]1 | 1 |
ClC(=O)OCC1=CC=CC=C1.C(C)(C)OC(C)C.FC(C1=CC=C(C=C1)N[C@@H](CC(=O)N)CC)(F)F>C1CCCO1.O([Li])C(C)(C)C>C(C1=CC=CC=C1)OC(NC(C[C@@H](CC)NC1=CC=C(C=C1)C(F)(F)F)=O)=O | 3 |
[Al].O[N:3]=[C:4]([C:10]#[N:11])[C:5]([O:7][CH2:8][CH3:9])=[O:6]>O.C(OCC)C.[Hg](Cl)Cl>[NH2:3][CH:4]([C:10]#[N:11])[C:5]([O:7][CH2:8][CH3:9])=[O:6] | 1 |
N1CCC1.OCC1CCNCC1>CC#N.C(C)(=O)OCC.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+]>N1(CCC1)C(=O)N1CCC(CC1)CO | 3 |
COC1=CC=C(CN)C=C1.ClC1=NC=CC(=N1)OC1=CC=C(C2=CC=CC=C12)NC(OC(C)(C)C)=O>CCN(CC)CC.CS(=O)C>NC1=CC=C(C2=CC=CC=C12)OC1=NC(=NC=C1)N | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH2:14])[C:5]([NH:8][CH2:9][CH:10]2[CH2:13][O:12][CH2:11]2)=[CH:6][CH:7]=1.[Cl:15][CH2:16][C:17](OC)(OC)OC>C(O)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]2[N:8]([CH2:9][CH:10]3[CH2:11][O:12][CH2:13]3)[C:17]([CH2:16][Cl:15])=[N:14][C:4]=2[CH:3]=1 | 2 |
Cl[Si](C)(C)C.O=C1CC2CCCC(C1)N2C(=O)OC(C)(C)C>N(C)(C)C=O.O.CCN(CC)CC>C[Si](OC1=CC2CCCC(C1)N2C(=O)OC(C)(C)C)(C)C | 3 |
O[C:2]1[C:11](C=O)=[C:10]2[C:5]([C:6](=[O:16])[C:7](C)=[C:8](C)[O:9]2)=[C:4](C)[C:3]=1C=O.C(=O)([O-])[O-].[Ca+2].[H][H].O>O1CCCC1.[Pd]>[O:9]1[C:10]2[C:5](=[CH:4][CH:3]=[CH:2][CH:11]=2)[C:6](=[O:16])[CH2:7][CH2:8]1 | 2 |
CC1(OC(C2=CC(=CC=C12)[N+](=O)[O-])=O)C>CO[H].[HH].[Pd]>NC1=CC=C2C(OC(C2=C1)=O)(C)C | 3 |
CN1N=NC(=C1C1=CC=2NC=3C=C(C=CC3C2N=C1)C(=O)OC)C.C1(=CC=CC=C1)[C@H](O)C1CCOCC1>>CN1N=NC(=C1C1=CC=2N(C=3C=C(C=CC3C2N=C1)C(=O)OC)[C@@H](C1CCOCC1)C1=CC=CC=C1)C | 5 |
N1=CC(=C(C=C1)C#N)C#N.C1(=CC=CC=C1)C=1C(C1C1=CC=CC=C1)=O>ClC1=CC=CC=C1>OC=1C(=C(N2C=C(C(=CC12)C#N)C#N)C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
C(=C)OCCCC.FC(S(=O)(=O)OC1=C2C=CC=NC2=CC=C1)(F)F>>C(C)(=O)C1=C2C=CC=NC2=CC=C1 | 5 |
N1CCCCC1.C(O)=O.CC1(C)[O:18][C:16](=[O:17])[CH2:15][C:13](=O)O1.C(=O)[C:21]1[CH:30]=[CH:29][C:26]([O:27][CH3:28])=[C:23]([O:24][CH3:25])[CH:22]=1>>[CH3:25][O:24][C:23]1[CH:22]=[C:21]([CH2:13][CH2:15][C:16]([OH:18])=[O:17])[CH:30]=[CH:29][C:26]=1[O:27][CH3:28] | 1 |
O[Li].O.[CH:4]1([C@H:9]2[C:35](=[O:36])[N:34]3[CH2:37][C@@H:31]([CH2:32][C@H:33]3[C:38]([O:40]C)=[O:39])[O:30][C:29]3[C:20](=[N:21][C:22]4[C:27]([CH:28]=3)=[CH:26][CH:25]=[CH:24][CH:23]=4)[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][C@@H:14]3[CH2:42][CH2:43][CH2:44][C@H:13]3[O:12][C:11](=[O:45])[NH:10]2)[CH2:8][CH2:7][CH2:6][CH2:5]1.O>C1COCC1>[CH:4]1([C@H:9]2[C:35](=[O:36])[N:34]3[CH2:37][C@@H:31]([CH2:32][C@H:33]3[C:38]([OH:40])=[O:39])[O:30][C:29]3[C:20](=[N:21][C:22]4[C:27]([CH:28]=3)=[CH:26][CH:25]=[CH:24][CH:23]=4)[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][C@@H:14]3[CH2:42][CH2:43][CH2:44][C@H:13]3[O:12][C:11](=[O:45])[NH:10]2)[CH2:5][CH2:6][CH2:7][CH2:8]1 | 2 |
Br[C:2]1[C:3]([NH2:15])=[N:4][CH:5]=[C:6]([C:8]2([CH3:14])[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)[CH:7]=1.[F:16][C:17]1[CH:34]=[C:33](B2OC(C)(C)C(C)(C)O2)[CH:32]=[CH:31][C:18]=1[C:19]([NH:21][C@@H:22]([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[CH2:23][OH:24])=[O:20].C(=O)([O-])[O-].[Na+].[Na+].C(O)(C(F)(F)F)=O>COCCOC.C(OCC)(=O)C.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(Cl)Cl>[NH2:15][C:3]1[C:2]([C:33]2[CH:32]=[CH:31][C:18]([C:19]([NH:21][C@@H:22]([C:25]3[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=3)[CH2:23][OH:24])=[O:20])=[C:17]([F:16])[CH:34]=2)=[CH:7][C:6]([C:8]2([CH3:14])[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)=[CH:5][N:4]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([NH2:9])=[CH:5][CH:4]=1.C[Al](C)C.[NH2:14][C:15]1[C:19]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[CH:18][S:17][C:16]=1[C:26](OC)=[O:27]>C1(C)C=CC=CC=1>[NH2:14][C:15]1[C:19]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[CH:18][S:17][C:16]=1[C:26]([NH:9][C:6]1[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1)=[O:27] | 1 |
C(C=C)C1=C(O)C(=CC=C1O)CC=C>>C(CC)C1=C(O)C=CC(=C1O)CCC | 5 |
[CH2:1]([O:3][C:4]1([C:7]2[CH:12]=[CH:11][C:10]([C:13]#[C:14][C:15]3[CH:20]=[CH:19][C:18]([CH2:21][C:22]([O:24]C)=[O:23])=[CH:17][CH:16]=3)=[CH:9][C:8]=2[CH:26]([CH3:28])[CH3:27])[CH2:6][CH2:5]1)[CH3:2].[OH-].[Na+]>C(O)C.O1CCCC1>[CH2:1]([O:3][C:4]1([C:7]2[CH:12]=[CH:11][C:10]([C:13]#[C:14][C:15]3[CH:16]=[CH:17][C:18]([CH2:21][C:22]([OH:24])=[O:23])=[CH:19][CH:20]=3)=[CH:9][C:8]=2[CH:26]([CH3:27])[CH3:28])[CH2:6][CH2:5]1)[CH3:2] | 2 |
[Cl:1][C:2]1[C:3](Cl)=[N:4][CH:5]=[C:6]([CH:13]=1)[C:7]([N:9]([O:11][CH3:12])[CH3:10])=[O:8].[C:15]([O:19][C:20]([N:22]1[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1)=[O:21])([CH3:18])([CH3:17])[CH3:16]>>[C:15]([O:19][C:20]([N:22]1[CH2:27][CH2:26][N:25]([C:3]2[C:2]([Cl:1])=[CH:13][C:6]([C:7](=[O:8])[N:9]([O:11][CH3:12])[CH3:10])=[CH:5][N:4]=2)[CH2:24][CH2:23]1)=[O:21])([CH3:18])([CH3:16])[CH3:17] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:13]=[C:12]([O:14]C)[CH:11]=[C:10]([I:16])[CH:9]=2)[CH:5]=[CH:6][CH:7]=1.[I-].[Na+].C[Si](Cl)(C)C>>[F:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:9]=[C:10]([I:16])[CH:11]=[C:12]([OH:14])[CH:13]=2)[CH:5]=[CH:6][CH:7]=1 | 1 |
COCOCC1=NC=C(C(=O)OCC)C=C1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>COCOCC1=CC=C(C=N1)CO | 3 |
CN(C1CNC1)C.BrC1=C(C=C2C(=NC(=NC2=C1F)Cl)N1CCOC2(CN(C2)C(=O)OC(C)(C)C)C1)Cl>C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CC(C)O>BrC1=C(C=C2C(=NC(=NC2=C1F)N1CC(C1)N(C)C)N1CCOC2(CN(C2)C(=O)OC(C)(C)C)C1)Cl | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC=1C=C2C(=NC=NC2=CC1OC)OC1=CC=C(N)C=C1.FC1=C(CN)C=CC(=C1)F>C(Cl)(Cl)(Cl)[H].CCN(CC)CC>FC1=C(CNC(=O)NC2=CC=C(C=C2)OC2=NC=NC3=CC(=C(C=C23)OC)OC)C=CC(=C1)F | 3 |
OC(C(C(=O)OC)OC)C1=CC=C(C2=C1SC=C2)OCCC=2N=C(OC2C([2H])([2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H]>N(C)(C)C=O.S(O)(O)(=O)=O>CO\C(\C(=O)OC)=C/C1=CC=C(C2=C1SC=C2)OCCC=2N=C(OC2C([2H])([2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H] | 3 |
[CH3:1][N:2]([CH3:11])[CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][NH:8][CH2:7][CH2:6]1.CO[C:14](=[O:23])[C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([CH2:21]Br)[CH:16]=1.[Cl:24][C:25]1[CH:30]=[CH:29][C:28]([C@@H:31]2[C@:33]3([C:41]4[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=4)[NH:35][C:34]3=[O:42])[CH2:32]2)=[CH:27][CH:26]=1>>[Cl:24][C:25]1[CH:26]=[CH:27][C:28]([C@@H:31]2[C@:33]3([C:41]4[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=4)[N:35]([CH2:21][C:17]4[CH:18]=[CH:19][CH:20]=[C:15]([C:14]([N:8]5[CH2:9][CH2:10][N:5]([CH2:4][CH2:3][N:2]([CH3:11])[CH3:1])[CH2:6][CH2:7]5)=[O:23])[CH:16]=4)[C:34]3=[O:42])[CH2:32]2)=[CH:29][CH:30]=1 | 1 |
ClC=1C=C2C(=CN=C(C2=CN1)OC1CC1)C(=C)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.[O-]S(=O)[O-].[Na+].[Na+]>ClC=1C=C2C(=CN=C(C2=CN1)OC1CC1)C1(OC1)C | 3 |
[CH:1]1([NH:7][C:8]2[C:12]3([CH2:17][CH2:16][N:15]([CH2:18][C:19]4[CH:24]=[CH:23][CH:22]=[C:21](I)[CH:20]=4)[CH2:14][CH2:13]3)[N:11]([CH2:26][CH2:27][CH2:28][CH:29]=[CH2:30])[C:10](=[O:31])[N:9]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH2:32]([Sn](CCCC)(CCCC)CCCC)[CH:33]=[CH2:34]>CN(C=O)C.CCOC(C)=O.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.Cl[Pd]Cl>[CH2:34]([C:21]1[CH:20]=[C:19]([CH:24]=[CH:23][CH:22]=1)[CH2:18][N:15]1[CH2:16][CH2:17][C:12]2([N:11]([CH2:26][CH2:27][CH2:28][CH:29]=[CH2:30])[C:10](=[O:31])[N:9]=[C:8]2[NH:7][CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[CH2:13][CH2:14]1)[CH:33]=[CH2:32] | 1 |
CC1=CC=CC(=N1)NC1=C(C(=NN1C(C)(C)C)C1=CC=C(C=C1)[N+](=O)[O-])C#N>O(O[H])[H].CCO[H].[OH-].[Na+].CS(=O)C>CC1=CC=CC(=N1)NC1=C(C(=NN1C(C)(C)C)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N | 3 |
C(C)(C)(C)[Si](C)(C)Cl.C1(CCCCC1)[C@@H](C#C)O>N(C)(C)C=O.O.c1cnc[nH]1.CCCCCC>O([Si](C)(C)C(C)(C)C)[C@H](C#C)C1CCCCC1 | 3 |
Cl.C(C1=CC=CC=C1)ON.ClC(COC(=O)Cl)(Cl)Cl>CC#N.c1ccncc1>ClC(COC(NOCC1=CC=CC=C1)=O)(Cl)Cl | 3 |
Br[C:2]1[C:7]([C:8]#[N:9])=[CH:6][C:5]([CH2:10][CH2:11][CH3:12])=[CH:4][C:3]=1[C:13]1[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][CH:14]=1.[CH3:20][C:21]1[CH:25]=[CH:24][S:23][C:22]=1B(O)O.CC(OC1C=CC=C(OC(C)C)C=1C1C(P(C2CCCCC2)C2CCCCC2)=CC=CC=1)C.C([O-])([O-])=O.[K+].[K+]>C1(C)C=CC=CC=1.O.CC([O-])=O.CC([O-])=O.[Pd+2]>[OH:19][C:16]1[CH:17]=[CH:18][C:13]([C:3]2[CH:4]=[C:5]([CH2:10][CH2:11][CH3:12])[CH:6]=[C:7]([C:8]#[N:9])[C:2]=2[C:22]2[S:23][CH:24]=[CH:25][C:21]=2[CH3:20])=[CH:14][CH:15]=1 | 2 |
O.[SH-].[Na+].BrCC=1C(=NN(C1Cl)C(C)(C)C)C(F)(F)F>>C(C)(C)(C)N1N=C(C(=C1Cl)CS)C(F)(F)F | 5 |
[NH:1]1[CH:8]=[CH:7][C:5](=[O:6])[NH:4][C:2]1=[S:3].[OH-].[Na+].[CH3:11]I>C(O)(=O)C>[CH3:11][S:3][C:2]1[NH:4][C:5](=[O:6])[CH:7]=[CH:8][N:1]=1 | 1 |
C(N)(=O)N1C=C(C2=CC=CC=C12)C(=O)O.ClC=1C(=C(CNC(CNC(C)C)=O)C=CC1)F>CCN(CC)CC.O1CCOCC1.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>ClC=1C(=C(CNC(CN(C(NC2=CN(C3=CC=CC=C23)C(=O)N)=O)C(C)C)=O)C=CC1)F | 3 |
C(C#CC)(=O)O.Cl.NC1CC(CCC1)C1=C2C(=C(NC2=C(C(=C1F)F)C(=O)N)C)Cl>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>C(C#CC)(=O)NC1CC(CCC1)C1=C2C(=C(NC2=C(C(=C1F)F)C(=O)N)C)Cl | 3 |
[CH2:1]([NH2:4])[CH2:2][NH2:3].[CH2:5](Cl)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16]>C(O)C>[CH2:16]([NH:3][CH2:2][CH2:1][NH2:4])[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH3:5] | 1 |
[Br:1][C:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[CH:6]([N:13]2[CH2:18][CH2:17][N:16]([N:19]=O)[CH2:15][CH2:14]2)[C:5]2[CH:21]=[CH:22][CH:23]=[CH:24][C:4]=2[CH:3]=1.CCOCC.[Li+].[AlH4-].[OH-].[Na+]>O.O1CCCC1>[Br:1][C:2]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[CH:6]([N:13]2[CH2:14][CH2:15][N:16]([NH2:19])[CH2:17][CH2:18]2)[C:5]2[CH:21]=[CH:22][CH:23]=[CH:24][C:4]=2[CH:3]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC(=O)C1CN(CC1)CC1=CC=CC=C1>>COC(=O)C1CN(CC1)C(=O)OC(C)(C)C | 5 |
CSC1=NC(=NC=C1)C1=CN=C2N1C=C(N=C2)C(C)=O>ClCCl.C(O)([O-])=O.[Na+].C(C)N(CC)S(F)(F)F>FC(C)(F)C=1N=CC=2N(C1)C(=CN2)C2=NC=CC(=N2)SC | 3 |
[CH:1]1([C:7](Cl)=[O:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.N1C=CC=CC=1.C([O:23][C:24](=[O:42])[C@H:25]([CH2:27][C:28]1[CH:33]=[CH:32][C:31]([O:34]CC2C=CC=CC=2)=[CH:30][CH:29]=1)[NH2:26])C1C=CC=CC=1>CO.O1CCCC1.[Pd]>[CH:1]1([C:7]([NH:26][C@H:25]([C:24]([OH:42])=[O:23])[CH2:27][C:28]2[CH:29]=[CH:30][C:31]([OH:34])=[CH:32][CH:33]=2)=[O:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
CNC(=C[N+](=O)[O-])SC.NCCSCC1=CC(=C(O1)CN(C)C)C>>CN(C)CC1=C(C=C(O1)CSCCNC(=C[N+](=O)[O-])NC)C | 3 |
Br[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7](Br)[CH:8]=2)[CH:3]=1.[C:13]([Li])([CH3:16])([CH3:15])C.[CH2:18]([Sn:22](Cl)([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:23][CH2:24][CH2:25][CH3:26])[CH2:19][CH2:20][CH3:21]>C(OCC)C>[CH2:18]([Sn:22]([CH2:27][CH2:15][CH2:13][CH3:16])([CH2:23][CH2:24][CH2:25][CH3:26])[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([Sn:22]([CH2:27][CH2:28][CH2:29][CH3:30])([CH2:23][CH2:24][CH2:25][CH3:26])[CH2:18][CH2:19][CH2:20][CH3:21])[CH:8]=2)[CH:3]=1)[CH2:19][CH2:20][CH3:21] | 2 |
C(C)(C)(C)OC(=O)N1[C@H](CCC1)COC1=CC=C(C=C1)OC1=NC2=C(N1)C=CC=C2>C(C)OCC.Cl.O1CCOCC1>Cl.N1[C@H](CCC1)COC1=CC=C(OC2=NC3=C(N2)C=CC=C3)C=C1 | 3 |
CC(C)(OC(=O)NCCCC[C@H](N)C(=O)N1CCN(CC1)C1=CC=NC=C1)C.ClC=1C=C(C[C@@H](NC(=O)OCC2=CC=CC=C2)C(=O)O)C=C(C1O)Cl>C1CCCO1.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F.ClCl>C1(=CC=CC=C1)COC(=O)N[C@H](CC1=CC(=C(C(=C1)Cl)O)Cl)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCN(CC1)C1=CC=NC=C1 | 3 |
BrC1=C(C=CC=C1C)OC>C1CCCO1.Cl.C(CCC)[Li].COB(OC)OC>COC1=C(C(=CC=C1)C)B(O)O | 3 |
C/C(/C(=O)OCC)=C\[C@H](C(C)C)N(C([C@@H](N)C(C)(C)C)=O)C.C(C)(C)(C)OC(=O)N([C@H](C(=O)O)C(C)(C)C1CCCCC1)C>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>C1(CCCCC1)C([C@H](NC)C(=O)N[C@@H](C(C)(C)C)C(=O)N(C)[C@H](\C=C(\C(=O)OCC)/C)C(C)C)(C)C | 3 |
C1(CCCCC1)COC1=NC(=C2N=C(N(C2=N1)C1OCCCC1)OC)N>CO[H].C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.C1(CCCCC1)COC1=NC(=C2N=C(NC2=N1)OC)N | 3 |
CN1N=C2C=CC=C(C2=C1)B(O)O.BrC1=CC(=C(CN2C=NC3=C(C2=O)C=CN=C3)C(=C1)F)F>>FC1=C(CN2C=NC3=C(C2=O)C=CN=C3)C(=CC(=C1)C=1C3=CN(N=C3C=CC1)C)F | 5 |
CI.FC1=C(C=C2C=NNC2=C1)CC1=CN=C2N1N=C(C=C2)C=2C=NN(C2)C>N(C)(C)C=O.[H-].[Na+]>FC1=C(C=C2C=NN(C2=C1)C)CC1=CN=C2N1N=C(C=C2)C=2C=NN(C2)C | 3 |
BrC(C(=O)OCC)(C)C.COC1=NC(=CC(=N1)C=1C=C(C=CC1)O)NCCC1=CC=C(C=C1)OC>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)OC(C(C)(C)OC1=CC(=CC=C1)C1=NC(=NC(=C1)NCCC1=CC=C(C=C1)OC)OC)=O | 3 |
[C:1]1([CH:7]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[N:8](C2C=CC=CC=2)[C:9](=[O:11])[O-])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:24]1([C:30]2([C:36]3[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=3)[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]2)[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.C1CCN2C(=NCCC2)CC1>C1COCC1>[C:18]1([CH:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[NH:8][C:9]([N:33]2[CH2:34][CH2:35][C:30]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)([C:36]3[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=3)[CH2:31][CH2:32]2)=[O:11])[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1 | 2 |
Br[C:2]1[N:6]2[N:7]=[CH:8][CH:9]=[CH:10][C:5]2=[N:4][CH:3]=1.[CH:11]1[C:23]2[CH:22]([CH2:24][O:25][C:26](=[O:55])[NH:27][C@H:28]3[CH2:33][CH2:32][CH2:31][C:30]([F:35])([F:34])[C@@H:29]3[NH:36][C:37]([C:39]3[S:40][C:41]([CH2:53][CH3:54])=[C:42](B4OC(C)(C)C(C)(C)O4)[CH:43]=3)=[O:38])[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15]=2[CH:14]=[CH:13][CH:12]=1.C1(P(C2CCCCC2)C2CCCCC2)CCCCC1.C([O-])(=O)C.[K+]>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=2)=O)=CC=1.[Pd].[Pd].O1CCOCC1>[CH:11]1[C:23]2[CH:22]([CH2:24][O:25][C:26](=[O:55])[NH:27][C@H:28]3[CH2:33][CH2:32][CH2:31][C:30]([F:35])([F:34])[C@@H:29]3[NH:36][C:37]([C:39]3[S:40][C:41]([CH2:53][CH3:54])=[C:42]([C:2]4[N:6]5[N:7]=[CH:8][CH:9]=[CH:10][C:5]5=[N:4][CH:3]=4)[CH:43]=3)=[O:38])[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15]=2[CH:14]=[CH:13][CH:12]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([C:13]2[S:14][C:15]([C:18]3[CH:23]=[CH:22][C:21]([O:24][CH:25]([CH3:27])[CH3:26])=[C:20]([C:28]([F:31])([F:30])[F:29])[CH:19]=3)=[N:16][N:17]=2)[C:5]([O:11][CH3:12])=[C:6]([CH2:8][CH:9]=O)[CH:7]=1.[NH:32]1[CH2:37][CH2:36][CH:35]([C:38]([O:40]CC)=[O:39])[CH2:34][CH2:33]1.CC(O)=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl.O>[F:1][C:2]1[CH:3]=[C:4]([C:13]2[S:14][C:15]([C:18]3[CH:23]=[CH:22][C:21]([O:24][CH:25]([CH3:27])[CH3:26])=[C:20]([C:28]([F:29])([F:30])[F:31])[CH:19]=3)=[N:16][N:17]=2)[C:5]([O:11][CH3:12])=[C:6]([CH2:8][CH2:9][N:32]2[CH2:33][CH2:34][CH:35]([C:38]([OH:40])=[O:39])[CH2:36][CH2:37]2)[CH:7]=1 | 1 |
[Cl:1][C:2]1[C:7]([S:8]([CH3:11])(=[O:10])=[O:9])=[CH:6][C:5]([C:12]2[NH:13][C:14]([C:26]3[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][CH:27]=3)([CH3:25])[C:15]([C:18]3[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=3)([CH3:17])[N:16]=2)=[C:4]([O:33][CH2:34][CH3:35])[CH:3]=1.[C:36](Cl)([Cl:38])=[O:37]>C(N(CC)CC)C>[Cl:1][C:2]1[C:7]([S:8]([CH3:11])(=[O:10])=[O:9])=[CH:6][C:5]([C:12]2[N:16]([C:36]([Cl:38])=[O:37])[C:15]([C:18]3[CH:19]=[CH:20][C:21]([Cl:24])=[CH:22][CH:23]=3)([CH3:17])[C:14]([C:26]3[CH:27]=[CH:28][C:29]([Cl:32])=[CH:30][CH:31]=3)([CH3:25])[N:13]=2)=[C:4]([O:33][CH2:34][CH3:35])[CH:3]=1 | 1 |
CN([C@@H]1CNCC1)C.FC=1C(=C(C(=C2N=C(OC21)\C=C\C2=CC=CC=C2)C#N)C)C2=CC=CC=C2>>CN([C@@H]1CN(CC1)C=1C(=C(C(=C2N=C(OC21)\C=C\C2=CC=CC=C2)C#N)C)C2=CC=CC=C2)C | 5 |
C(C1=CC=CC=C1)ONC(C1=C(C=C(C(=C1)F)F)NC1=C(C=C(C=C1)F)F)=O>>C(C1=CC=CC=C1)ON1C(N(C2=CC(=C(C=C2C1=O)F)F)C1=C(C=C(C=C1)F)F)=O | 5 |
C(CCC)[Sn](C1=NC=CC=C1)(CCCC)CCCC.BrC=1C=C(C=CC1)NC1=NN(C2=C1CN(CC2)C(C)=O)CC2CC2>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(CC1)CN1N=C(C=2CN(CCC21)C(C)=O)NC2=CC(=CC=C2)C2=NC=CC=C2 | 3 |
C([O-])(=O)C.[K+].[B:6].[B].[OH:8][C:9]([C:12]([OH:15])([CH3:14])[CH3:13])([CH3:11])[CH3:10].[CH3:16][O:17][C:18]1[CH:36]=[CH:35][C:21]([CH2:22][N:23]2[C:32]3[C:27](=[CH:28][C:29](Br)=[CH:30][CH:31]=3)[CH:26]=[CH:25][C:24]2=[O:34])=[CH:20][CH:19]=1>CN(C=O)C.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[CH3:16][O:17][C:18]1[CH:36]=[CH:35][C:21]([CH2:22][N:23]2[C:32]3[C:27](=[CH:28][C:29]([B:6]4[O:15][C:12]([CH3:14])([CH3:13])[C:9]([CH3:11])([CH3:10])[O:8]4)=[CH:30][CH:31]=3)[CH:26]=[CH:25][C:24]2=[O:34])=[CH:20][CH:19]=1 | 1 |
C[O:2][C:3](=[O:24])[CH2:4][C:5]1[C:13]2[C:8](=[CH:9][C:10]([Cl:14])=[CH:11][CH:12]=2)[NH:7][C:6]=1[C:15]([C:17]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][N:18]=1)=[O:16].Cl>C(O)C.[OH-].[Na+]>[Cl:14][C:10]1[CH:9]=[C:8]2[C:13]([C:5]([CH2:4][C:3]([OH:24])=[O:2])=[C:6]([C:15]([C:17]3[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][N:18]=3)=[O:16])[NH:7]2)=[CH:12][CH:11]=1 | 1 |
[O:1]=[C:2]1[NH:6][C:5](=[O:7])[C:4](=[CH:8][C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[N:15]=[CH:14][N:13]=[C:12]3[N:19]2[CH2:30][CH2:29][CH2:28][C@H:20]2[C:21]([O:23]C(C)(C)C)=[O:22])[S:3]1.C(O)(C(F)(F)F)=O.C(Cl)Cl>>[O:1]=[C:2]1[NH:6][C:5](=[O:7])[C:4](=[CH:8][C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[N:15]=[CH:14][N:13]=[C:12]3[N:19]2[CH2:30][CH2:29][CH2:28][CH:20]2[C:21]([OH:23])=[O:22])[S:3]1 | 1 |
[OH:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][C:3]=1[N+:10]([O-:12])=[O:11].CN(C=O)C.[H-].[Na+].Br[CH2:21][C:22]([O:24][CH2:25][CH3:26])=[O:23]>O1CCCC1>[CH2:25]([O:24][C:22](=[O:23])[CH2:21][O:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][C:3]=1[N+:10]([O-:12])=[O:11])[CH3:26] | 1 |
Cl.[CH3:2][N:3]([CH:5]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[CH3:19])[CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8][C:7]1=[O:12])[CH3:4].N.[C:21]1([Mg][Cl:28])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.[Cl-].[NH4+]>O1CCCC1.O>[ClH:28].[CH3:4][N:3]([CH:5]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[CH3:19])[CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8][C:7]1([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[OH:12])[CH3:2] | 1 |
[NH2:1][CH:2]1[CH2:14][C:13]2[C:12]3[C:7](=[C:8](Br)[CH:9]=[CH:10][CH:11]=3)[N:6]([CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18])[C:5]=2[CH2:4][CH2:3]1.[CH3:22][S:23]([O-:25])=[O:24].[Na+]>CN1C(=O)CCC1.CCCCCCC.CCOC(C)=O>[NH2:1][CH:2]1[CH2:14][C:13]2[C:12]3[C:7](=[C:8]([S:23]([CH3:22])(=[O:25])=[O:24])[CH:9]=[CH:10][CH:11]=3)[N:6]([CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18])[C:5]=2[CH2:4][CH2:3]1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][CH2:9][CH:10]1[CH2:13][N:12]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:11]1.[N:21]#[C:22]Br>C(O)C>[NH2:21][C:22]1[N:8]([CH2:9][CH:10]2[CH2:11][N:12]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:13]2)[C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=2[N:1]=1 | 2 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C=O.N1(CCNCC1)C(=O)OCC1=CC=CC=C1>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(=O)N1CCC(CC1)CN1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
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