smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([CH2:12]Cl)[CH:8]=2)[CH:3]=1.Cl.[F:15][C:16]1[CH:29]=[CH:28][C:19]([C:20]([CH:22]2[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]2)=[O:21])=[CH:18][CH:17]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([CH2:12][N:25]1[CH2:26][CH2:27][CH:22]([C:20](=[O:21])[C:19]3[CH:18]=[CH:17][C:16]([F:15])=[CH:29][CH:28]=3)[CH2:23][CH2:24]1)[CH:6]=[CH:5]2 | 2 |
C(O)C.O1CCCC1.Cl.C([O:13][CH:14]1[CH2:19][CH2:18][N:17]([C:20](=[O:62])[CH2:21][C@H:22]2[O:28][C@H:27]([C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([O:35][CH2:36][CH2:37][CH2:38][NH:39][CH2:40][CH2:41][CH2:42][C:43]4[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=4)[C:30]=3[O:49][CH3:50])[C:26]3[CH:51]=[C:52]([Cl:55])[CH:53]=[CH:54][C:25]=3[N:24]([CH2:56][C:57]([CH3:60])([CH3:59])[CH3:58])[C:23]2=[O:61])[CH2:16][CH2:15]1)(=O)C.[OH-].[Na+].Cl>C(Cl)Cl>[ClH:55].[Cl:55][C:52]1[CH:53]=[CH:54][C:25]2[N:24]([CH2:56][C:57]([CH3:60])([CH3:58])[CH3:59])[C:23](=[O:61])[C@@H:22]([CH2:21][C:20]([N:17]3[CH2:18][CH2:19][CH:14]([OH:13])[CH2:15][CH2:16]3)=[O:62])[O:28][C@H:27]([C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([O:35][CH2:36][CH2:37][CH2:38][NH:39][CH2:40][CH2:41][CH2:42][C:43]4[CH:44]=[CH:45][CH:46]=[CH:47][CH:48]=4)[C:30]=3[O:49][CH3:50])[C:26]=2[CH:51]=1 | 2 |
CC=1OC2=C(N1)C=CC(=C2)O>>C(C)OC(CN1C(C2=CC=C(C=C2C1=O)OC1=CC2=C(N=C(O2)C)C=C1)=O)=O | 5 |
Cl.[N:2]1([CH2:7][C:8]([OH:10])=O)[CH:6]=[N:5][CH:4]=[N:3]1.[F:11][C:12]1[CH:38]=[CH:37][C:15]([O:16][C:17]2[CH:22]=[CH:21][C:20]([NH:23][C:24]([C@@H:26]3[CH2:30][C@@H:29]([C:31]4[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=4)[CH2:28][NH:27]3)=[O:25])=[CH:19][CH:18]=2)=[CH:14][CH:13]=1>>[N:2]1([CH2:7][C:8]([N:27]2[CH2:28][C@H:29]([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)[CH2:30][C@H:26]2[C:24]([NH:23][C:20]2[CH:21]=[CH:22][C:17]([O:16][C:15]3[CH:14]=[CH:13][C:12]([F:11])=[CH:38][CH:37]=3)=[CH:18][CH:19]=2)=[O:25])=[O:10])[CH:6]=[N:5][CH:4]=[N:3]1 | 1 |
C(C)(=O)C=1N=CC(=C2C1NC=C2C(C(=O)N2CCN(CC2)C2=NN=NN2C2=CC=CC=C2)=O)F>CCO[H].Cl.NO>FC1=C2C(=C(N=C1)/C(/C)=N/O)NC=C2C(C(=O)N2CCN(CC2)C2=NN=NN2C2=CC=CC=C2)=O | 3 |
[N-]=[N+]=[N-].C(CCC)[N+](CCCC)(CCCC)CCCC.CS(=O)(=O)OCCC[C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H](O1)COCC1=CC=CC=C1>>C(C1=CC=CC=C1)O[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)CCCN=[N+]=[N-] | 5 |
ClC=1N=NC(=C(C1C1=C(C=C(C=C1F)F)F)C1=CC(=CC(=C1)OC)OC)C1=C(C=CC=C1)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>ClC=1N=NC(=C(C1C1=C(C(=C(C=C1F)F)[Si](C)(C)C)F)C1=CC(=CC(=C1)OC)OC)C1=C(C=CC=C1)F | 3 |
NC1=CC=CC=C1.FC1=CC=C(C=O)C=C1>O.C1=CC=CC=C1.C(C)(=O)O>FC1=CC=C(C=C1)C=NC1=CC=CC=C1 | 3 |
[CH3:1][O:2][C:3]([C:5]1[C:6]2[CH:7]=[N:8][N:9]([CH2:14][CH:15]([CH3:17])[CH3:16])[C:10]=2[CH:11]=[CH:12][CH:13]=1)=[O:4].[B-](F)(F)(F)[F:19].[B-](F)(F)(F)F.C1[N+]2(CCl)CC[N+](F)(CC2)C1.C(O)(=O)C.O>C(#N)C>[CH3:1][O:2][C:3]([C:5]1[C:6]2[C:7]([F:19])=[N:8][N:9]([CH2:14][CH:15]([CH3:17])[CH3:16])[C:10]=2[CH:11]=[CH:12][CH:13]=1)=[O:4] | 2 |
[NH2:1][C:2]1[N:7]=[C:6](Cl)[C:5]([C:9]#[N:10])=[C:4]([S:11][CH3:12])[N:3]=1.[F:13][C:14]1[CH:15]=[C:16](B(O)O)[CH:17]=[CH:18][CH:19]=1.C(=O)([O-])[O-].[K+].[K+]>C1(C)C=CC=CC=1.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.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.[Pd]>[NH2:1][C:2]1[N:7]=[C:6]([C:18]2[CH:17]=[CH:16][CH:15]=[C:14]([F:13])[CH:19]=2)[C:5]([C:9]#[N:10])=[C:4]([S:11][CH3:12])[N:3]=1 | 1 |
[Br:1][C:2]1[C:10]2[S:9](=[O:12])(=[O:11])[N:8](C(C)(C)C)[CH:7](O)[C:6]=2[CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+]>C(O)=O>[Br:1][C:2]1[C:10]2[S:9](=[O:12])(=[O:11])[NH:8][CH2:7][C:6]=2[CH:5]=[CH:4][CH:3]=1 | 1 |
C1(=CC=CC=C1)C=O.CCOC(=O)CP(=O)(OCC)OCC>[H-].[Na+].COCCOC>C(C)OC(C=CC1CCCCC1)=O | 3 |
ClC=1C=CC2=C(N(CC3=CN=C(C=C23)NC(C)=O)C)C1>>ClC=1C=CC2=C(N(C(C3=CN=C(C=C23)NC(C)=O)=O)C)C1 | 5 |
[Cl:1][C:2]1[C:3]([NH:23][C:24]2[CH:28]=[C:27]([CH3:29])[NH:26][N:25]=2)=[N:4][C:5]([NH:8][C:9]2[CH:14]=[C:13]([CH3:15])[C:12]([CH:16]3[CH2:21][CH2:20][CH2:19][NH:18][CH2:17]3)=[CH:11][C:10]=2[CH3:22])=[N:6][CH:7]=1.Br[CH2:31][C:32]([NH:34][CH3:35])=[O:33]>CN(C=O)C>[Cl:1][C:2]1[C:3]([NH:23][C:24]2[CH:28]=[C:27]([CH3:29])[NH:26][N:25]=2)=[N:4][C:5]([NH:8][C:9]2[C:10]([CH3:22])=[CH:11][C:12]([C@@H:16]3[CH2:21][CH2:20][CH2:19][N:18]([CH2:31][C:32]([NH:34][CH3:35])=[O:33])[CH2:17]3)=[C:13]([CH3:15])[CH:14]=2)=[N:6][CH:7]=1 | 1 |
[C:1]([N:8]1[CH:12]=[CH:11][N:10]=[CH:9]1)([N:3]1[CH:7]=[CH:6][N:5]=[CH:4]1)=[O:2].[C:13]([NH:20][C@H:21]([C:29]([OH:31])=[O:30])[CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14]>C1COCC1>[C:13]([NH:20][C@H:21]([C:29]([OH:31])=[O:30])[CH2:22][C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)([O:15][C:16]([CH3:18])([CH3:17])[CH3:19])=[O:14].[C:1]([N:3]1[CH:7]=[CH:6][N:5]=[CH:4]1)([N:8]1[CH:12]=[CH:11][N:10]=[CH:9]1)=[O:2] | 1 |
Cl[C:2]1[CH:7]=[C:6]([C:8](=[O:19])[C:9]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=2)=[O:10])[CH:5]=[CH:4][N:3]=1.[C:20]([C:22]1[CH:23]=[C:24](B(O)O)[CH:25]=[CH:26][CH:27]=1)#[N:21]>>[CH3:18][O:17][C:14]1[CH:15]=[CH:16][C:11]([C:9](=[O:10])[C:8]([C:6]2[CH:5]=[CH:4][N:3]=[C:2]([C:26]3[CH:27]=[C:22]([CH:23]=[CH:24][CH:25]=3)[C:20]#[N:21])[CH:7]=2)=[O:19])=[CH:12][CH:13]=1 | 2 |
FC(C(=O)O)F.IC1=C(C(=NC=C1)OC)C=1NC2=CC(=CC=C2C1)NC>>FC(C(=O)N(C)C1=CC=C2C=C(NC2=C1)C=1C(=NC=CC1I)OC)F | 5 |
C1(CCCCC1)C=O.BrC1=CC(=C(C(=C1)C)C=1C(CCC1OC)=O)C>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>BrC1=CC(=C(C(=C1)C)C=1C(C(CC1OC)C(O)C1CCCCC1)=O)C | 3 |
[CH2:1]1[CH2:5]OC[CH2:2]1.[H-].[Na+].[C:8]([O:16][CH2:17][CH3:18])(=[O:15])[CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11].C(Br)C=C>O>[CH2:5]([CH:9]([C:10]([O:12][CH2:13][CH3:14])=[O:11])[C:8]([O:16][CH2:17][CH3:18])=[O:15])[CH:1]=[CH2:2] | 1 |
CC1(OB(OC1(C)C)C1=C(C=CC=C1)O)C.ClC1=NC=CC2=CC(=CC=C12)S(=O)(=O)N(C=1SC=CN1)CC1=CC=C(C=C1)OC>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>OC1=C(C=CC=C1)C1=NC=CC2=CC(=CC=C12)S(=O)(=O)N(C=1SC=CN1)CC1=CC=C(C=C1)OC | 3 |
CN1N=CC(=C1)B(O)O.ClC1=CC(=CC=2CN(CCOC21)CC=2C=NC(=NC2)Cl)N2C=CC1=CC(=CC=C21)F>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=CC(=CC=2CN(CCOC21)CC=2C=NC(=NC2)C=2C=NN(C2)C)N2C=CC1=CC(=CC=C21)F | 3 |
C1(CC1)C(=O)Cl.Cl.BrC=1C=CC2=C(CCO2)C1CCCN>N(C)(C)C=O.ClCCl.CCN(CC)CC>BrC=1C=CC2=C(CCO2)C1CCCNC(=O)C1CC1 | 3 |
[C:1]([O:5][C:6]([NH:8][C@H:9]1[CH2:13][CH2:12][N:11]([CH2:14][C:15]2[CH:23]=[CH:22][C:18]([C:19]([OH:21])=O)=[CH:17][C:16]=2[C:24]([F:27])([F:26])[F:25])[C:10]1=[O:28])=[O:7])([CH3:4])([CH3:3])[CH3:2].C(N(C(C)C)CC)(C)C.F[P-](F)(F)(F)(F)F.N1(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)C2C=CC=CC=2N=N1.[CH3:71][C:72]1[CH:78]=[CH:77][C:75]([NH2:76])=[CH:74][C:73]=1[NH:79][C:80]1[N:85]=[C:84]([C:86]2[CH:87]=[N:88][CH:89]=[N:90][CH:91]=2)[CH:83]=[CH:82][N:81]=1>CN(C)C=O.O>[C:1]([O:5][C:6]([NH:8][C@H:9]1[CH2:13][CH2:12][N:11]([CH2:14][C:15]2[CH:23]=[CH:22][C:18]([C:19]([NH:76][C:75]3[CH:77]=[CH:78][C:72]([CH3:71])=[C:73]([NH:79][C:80]4[N:85]=[C:84]([C:86]5[CH:91]=[N:90][CH:89]=[N:88][CH:87]=5)[CH:83]=[CH:82][N:81]=4)[CH:74]=3)=[O:21])=[CH:17][C:16]=2[C:24]([F:25])([F:27])[F:26])[C:10]1=[O:28])=[O:7])([CH3:3])([CH3:4])[CH3:2] | 1 |
C[C@@H]1CO[C@@]2([O:9][C@H:8]3[CH2:10][C@H:11]4[C@@H:16]5[CH2:17][CH2:18][C@@H:19]6[CH2:24][C@@H:23]([OH:25])[CH2:22][CH2:21][C@:20]6([CH3:26])[C@H:15]5[CH2:14][CH2:13][C@:12]4([CH3:27])[C@H:7]3[C@@H:6]2[CH3:28])CC1.C(O)(=O)C1C=CC=C(C(O)=O)C=1.OO.[OH-].[K+]>C(O)(=O)C.C(OC(=O)C)(=O)C>[OH:25][C@H:23]1[CH2:22][CH2:21][C@@:20]2([CH3:26])[C@H:19]([CH2:18][CH2:17][C@@H:16]3[C@@H:15]2[CH2:14][CH2:13][C@@:12]2([CH3:27])[C@H:11]3[CH2:28][CH:6]=[C:7]2[C:8](=[O:9])[CH3:10])[CH2:24]1 | 2 |
Br[C:2]1[C:3]([CH3:20])=[N:4][C:5]([O:9][CH2:10][CH2:11][O:12][Si:13]([C:16]([CH3:19])([CH3:18])[CH3:17])([CH3:15])[CH3:14])=[N:6][C:7]=1[CH3:8].[CH3:21][C:22]1[C:31](B2OC(C)(C)C(C)(C)O2)=[CH:30][CH:29]=[CH:28][C:23]=1[C:24]([O:26][CH3:27])=[O:25].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(OCC)(=O)C.O.C1(C)C=CC=CC=1>[Si:13]([O:12][CH2:11][CH2:10][O:9][C:5]1[N:4]=[C:3]([CH3:20])[C:2]([C:31]2[C:22]([CH3:21])=[C:23]([CH:28]=[CH:29][CH:30]=2)[C:24]([O:26][CH3:27])=[O:25])=[C:7]([CH3:8])[N:6]=1)([C:16]([CH3:19])([CH3:18])[CH3:17])([CH3:15])[CH3:14] | 2 |
[F:1][C:2]1[C:22](F)=[CH:21][C:5]2[C:6]3[C:7](=[O:20])[C:8]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[CH:9][N:10]([CH3:14])[C:11]=3[CH:12]=[N:13][C:4]=2[CH:3]=1.[CH3:24][C:25]12[CH2:32][CH:29]([NH:30][CH2:31]1)[CH2:28][C:27]([CH3:34])([CH3:33])[CH2:26]2>CS(C)=O>[F:1][C:2]1[C:22]([N:30]2[CH2:31][C:25]3([CH3:24])[CH2:32][CH:29]2[CH2:28][C:27]([CH3:34])([CH3:33])[CH2:26]3)=[CH:21][C:5]2[C:6]3[C:7](=[O:20])[C:8]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[CH:9][N:10]([CH3:14])[C:11]=3[CH:12]=[N:13][C:4]=2[CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:14]2[C:22]3[C:17](=[C:18]([CH2:23][S:24][CH3:25])[CH:19]=[CH:20][CH:21]=3)[NH:16][CH:15]=2)([CH2:12][CH3:13])[CH2:9][CH2:10][OH:11])=[CH:4][CH:3]=1.ClCCl.ClC1C=CC=C(C(OO)=[O:37])C=1>CO>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([C:14]2[C:22]3[C:17](=[C:18]([CH2:23][S:24]([CH3:25])=[O:37])[CH:19]=[CH:20][CH:21]=3)[NH:16][CH:15]=2)([CH2:12][CH3:13])[CH2:9][CH2:10][OH:11])=[CH:6][CH:7]=1 | 1 |
OO.FC(F)(F)C([NH:7][C:8]1[CH:13]=[CH:12][C:11]([S:14][CH2:15][C:16]2[N:20]([CH2:21][CH2:22][CH3:23])[CH:19]=[N:18][CH:17]=2)=[CH:10][CH:9]=1)=O.O.O.O.O.O.S([O-])([O-])(=[O:33])=S.[Na+].[Na+].[OH-].[Na+].C(=O)([O-])[O-].[K+].[K+]>C(O)(=O)C.CO>[CH2:21]([N:20]1[C:16]([CH2:15][S:14]([C:11]2[CH:12]=[CH:13][C:8]([NH2:7])=[CH:9][CH:10]=2)=[O:33])=[CH:17][N:18]=[CH:19]1)[CH2:22][CH3:23] | 2 |
C(#N)C=1C=C(C(=NC1C)N1CCCCC1)C(=O)OCC>C(C)OCC.[Se](=O)=O>C(#N)C=1C=C(C(=NC1C=O)N1CCCCC1)C(=O)OCC | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[NH:11][C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[C:5](O)=[O:6].CCN(CC)CC.C(Cl)(=O)OCC.[BH4-].[Na+]>C1COCC1.O>[C:15]([O:14][C:12](=[O:13])[NH:11][C:10]1[CH:9]=[CH:8][C:4]([CH2:5][OH:6])=[CH:3][C:2]=1[Br:1])([CH3:18])([CH3:16])[CH3:17] | 2 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[C:5]([Cl:9])=[CH:4][N:3]=1.COB([C:14]1[CH:19]=[CH:18][C:17]([C:20]([OH:22])=[O:21])=[CH:16][CH:15]=1)O.[Cl-].[Li+].[C:25](=O)([O-])[O-].[Na+].[Na+]>C(OCC)(=O)C.COCCOC>[CH3:25][O:22][C:20](=[O:21])[C:17]1[CH:16]=[CH:15][C:14]([C:6]2[C:5]([Cl:9])=[CH:4][N:3]=[C:2]([Cl:1])[N:7]=2)=[CH:19][CH:18]=1 | 1 |
BrC=1C=C2CCC(CC2=CC1)=O>>BrC=1C=CC2=C(CCC(NC2)=O)C1 | 5 |
[Br:1]C1C=C(OC)C(N2CCN(C)CC2)=NC=1.[CH3:17][O:18][C:19]1[CH:24]=[CH:23][N:22]=[C:21]([N:25]2[CH2:30][CH2:29][N:28]([CH:31]3[CH2:36][CH2:35][N:34]([CH3:37])[CH2:33][CH2:32]3)[CH2:27][C@@H:26]2[CH3:38])[CH:20]=1>>[Br:1][C:24]1[C:19]([O:18][CH3:17])=[CH:20][C:21]([N:25]2[CH2:30][CH2:29][N:28]([CH:31]3[CH2:36][CH2:35][N:34]([CH3:37])[CH2:33][CH2:32]3)[CH2:27][C@@H:26]2[CH3:38])=[N:22][CH:23]=1 | 2 |
COC=1C=C2C(=CN(C2=CC1OC)CCOC)C1=CC=2C(=NC=CC2)N1S(=O)(=O)C1=CC=C(C=C1)C>[OH-].[K+]>COC=1C=C2C(=CN(C2=CC1OC)CCOC)C1=CC=2C(=NC=CC2)N1 | 3 |
[F:1][C:2]1[CH:3]=[C:4]([NH:10][C:11]2[C:16]([C:17]3[N:22]=[C:21]([CH3:23])[N:20]=[C:19]([N:24](CC4C=CC(OC)=CC=4)CC4C=CC(OC)=CC=4)[CH:18]=3)=[CH:15][C:14]([C@H:43]([N:45]3[CH2:50][CH2:49][N:48]([S:51]([CH3:54])(=[O:53])=[O:52])[CH2:47][C@@H:46]3[CH3:55])[CH3:44])=[CH:13][N:12]=2)[CH:5]=[N:6][C:7]=1[O:8][CH3:9].OS(C(F)(F)F)(=O)=O>C(O)(C(F)(F)F)=O>[F:1][C:2]1[CH:3]=[C:4]([NH:10][C:11]2[C:16]([C:17]3[N:22]=[C:21]([CH3:23])[N:20]=[C:19]([NH2:24])[CH:18]=3)=[CH:15][C:14]([C@H:43]([N:45]3[CH2:50][CH2:49][N:48]([S:51]([CH3:54])(=[O:53])=[O:52])[CH2:47][C@@H:46]3[CH3:55])[CH3:44])=[CH:13][N:12]=2)[CH:5]=[N:6][C:7]=1[O:8][CH3:9] | 1 |
C(C)(C)(C)[Si](C)(C)Cl.ClC1=C2C(=NC=C1)C=C(S2)C(=O)N2[C@@H](CCC2)CO[Si](C)(C)C(C)(C)C.ClC1=C2C(=NC=C1)C=C(S2)C(=O)N(C)CCO>>[Si](C)(C)(C(C)(C)C)OCCN(C(=O)C1=CC2=NC=CC(=C2S1)Cl)C | 5 |
NC1=CC(=C(S1)C(=O)OC)O[C@H](C)C1=C(C=CC=C1)C(F)(F)F.C(C(C)(C)C)(=O)OCC1=CC(=C(C=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F>>CC(C(=O)OCC=1C=CC(=C(C1)NC1=CC(=C(S1)C(=O)OC)O[C@H](C)C1=C(C=CC=C1)C(F)(F)F)[N+](=O)[O-])(C)C | 5 |
[ClH:1].CC([N:6]([CH:10]1[CH2:15][CH2:14][N:13]([C:16]2[C:17]3[C:24]([CH3:25])=[CH:23][NH:22][C:18]=3[N:19]=[CH:20][N:21]=2)[CH2:12][CH2:11]1)C(=O)[O-])(C)C>O1CCOCC1>[ClH:1].[CH3:25][C:24]1[C:17]2[C:16]([N:13]3[CH2:14][CH2:15][CH:10]([NH2:6])[CH2:11][CH2:12]3)=[N:21][CH:20]=[N:19][C:18]=2[NH:22][CH:23]=1 | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH2:12][CH:11]([CH2:13][OH:14])[O:10][N:9]=2)=[CH:4][CH:3]=1.C(N(CC)CC)C.[Si:22](Cl)([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23]>ClCCl.CN(C)C1C=CN=CC=1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH2:12][CH:11]([CH2:13][O:14][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23])[O:10][N:9]=2)=[CH:6][CH:7]=1 | 1 |
Br[C:2]1[N:3]=[C:4]2[N:11]([CH2:12][CH3:13])[CH2:10][C:9](=[O:14])[NH:8][C:5]2=[N:6][CH:7]=1.BrCC([NH:19][C:20]1[C:25](Br)=NC(Br)=[CH:22][N:21]=1)=O.C(N([CH:34]([CH3:36])[CH3:35])CC)(C)C.[ClH:37].[CH2:38](N)[CH3:39].C(#[N:43])C>>[ClH:37].[N:43]1[N:19]=[C:20]([C:25]2[CH:35]=[CH:34][C:36]([C:2]3[N:3]=[C:4]4[N:11]([CH2:12][CH3:13])[CH2:10][C:9](=[O:14])[NH:8][C:5]4=[N:6][CH:7]=3)=[CH:39][CH:38]=2)[NH:21][CH:22]=1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][C:12]([C:14]2[C:23]3[C:18](=[N:19][N:20]=[C:21]4[N:26](S(C5C=CC=CC=5)(=O)=O)[CH:25]=[CH:24][C:22]4=3)[N:17]=[CH:16][CH:15]=2)=[CH:11][CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+]>CC(C)=O>[C:1]([O:5][C:6]([N:8]1[CH2:13][C:12]([C:14]2[C:23]3[C:18](=[N:19][N:20]=[C:21]4[NH:26][CH:25]=[CH:24][C:22]4=3)[N:17]=[CH:16][CH:15]=2)=[CH:11][CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
C(C1=CC=CC=C1)C1=[N+](C=CC=C1)[O-]>CC#N.CCN(CC)CC.C[Si](C)(C)C#N>C(C1=CC=CC=C1)C1=CC=CC(=N1)C#N | 3 |
BrC1=C(C=CC(=C1)OC1=CC=CC=C1)CC=O>CO[H].[Na+].[BH4-]>BrC1=C(C=CC(=C1)OC1=CC=CC=C1)CCO | 3 |
C(C=C)Br.CC1(NC(CC(C1)N1C(C2=CC=CC=C2C1=O)=O)(C)C)C>[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C=C)N1C(CC(CC1(C)C)N1C(C2=CC=CC=C2C1=O)=O)(C)C | 3 |
C([O:8][C:9]1[C:10](=[O:27])[CH:11]=[C:12]([CH2:15][NH:16][S:17]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=2[Cl:26])(=[O:19])=[O:18])[O:13][CH:14]=1)C1C=CC=CC=1.OC1C(=O)C=C(CNS(C2C=CC=CC=2)(=O)=O)OC=1>>[Cl:26][C:21]1[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=1[S:17]([NH:16][CH2:15][C:12]1[O:13][CH:14]=[C:9]([OH:8])[C:10](=[O:27])[CH:11]=1)(=[O:18])=[O:19] | 1 |
ClS(=O)(=O)N=C=O.CN(CCNC1=CC=C2C(=N1)N(C=C2)[Si](C(C)C)(C(C)C)C(C)C)C>>CN(CCNC1=CC=C2C(=N1)NC=C2C#N)C | 5 |
C(C)(C)(C)OC(=O)N([C@H](CCC(=O)OC)C(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C>C(C)OCC.CC(C)C[AlH]CC(C)C>C(C)(C)(C)OC(=O)N([C@H](CCC=O)C(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C | 3 |
[N:1]1[CH:6]=[CH:5][C:4]([NH:7][C:8](=[O:26])[C@H:9]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([OH:25])=[CH:21][CH:20]=2)[NH:10][C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])=[CH:3][CH:2]=1.[H-].[Na+].[Cl:29][C:30]1[CH:35]=[C:34]([Cl:36])[CH:33]=[CH:32][C:31]=1[N+:37]([O-:39])=[O:38]>CS(C)=O>[ClH:29].[ClH:29].[N:1]1[CH:6]=[CH:5][C:4]([NH:7][C:8](=[O:26])[C@H:9]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][C:32]3[C:31]([N+:37]([O-:39])=[O:38])=[CH:30][CH:35]=[C:34]([Cl:36])[CH:33]=3)=[CH:21][CH:20]=2)[NH:10][C:11]([O:13][C:14]([CH3:16])([CH3:17])[CH3:15])=[O:12])=[CH:3][CH:2]=1 | 1 |
C(C1=CC=CC=C1)O.N[C@@H](CC(=O)O)C(=O)O>>C(C1=CC=CC=C1)OC([C@@H](N)CC(=O)OCC1=CC=CC=C1)=O | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH2:12][CH:11]([CH2:13][OH:14])[O:10][N:9]=2)=[CH:4][CH:3]=1.C(N(CC)CC)C.[Si:22](Cl)([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23].O>CN(C)C1C=CN=CC=1.ClCCl>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH2:12][CH:11]([CH2:13][O:14][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23])[O:10][N:9]=2)=[CH:6][CH:7]=1 | 1 |
[Br-].C(C)OC(CCC[Zn+])=O.FC(S(=O)(=O)OC1=C(C(=CC=C1)Cl)CC)(F)F>>ClC=1C(=C(C=CC1)CCCC(=O)OCC)CC | 5 |
C1(=CC=CC=C1)N1CCNCC1.ClC=1C=C2N=C(C(=NC2=CC1)OC)NC(OCC)=O>C1CCCO1.C1CCC2=NCCCN2CC1>ClC=1C=C2N=C(C(=NC2=CC1)OC)NC(=O)N1CCN(CC1)C1=CC=CC=C1 | 3 |
BrC1=NC=CC=C1.C(C)(C)(C)OC(=O)N1CCNCCC1>>N1=C(C=CC=C1)C1N(CCCNC1)C(=O)OC(C)(C)C | 5 |
C(C)(=O)OCC1=C(C=C(C=C1N1C(C=2SC=3CC(CC3C2CC1)(C)C)=O)F)Br>>C(C)(=O)OCC1=C(C=C(C=C1B1OC(C(O1)(C)C)(C)C)F)N1C(C=2SC=3CC(CC3C2CC1)(C)C)=O | 5 |
BrC1=NN2C(C=CC=C2C(=O)OC)=N1>O.C1CCCO1.[OH-].[Li+]>BrC1=NN2C(C=CC=C2C(=O)O)=N1 | 3 |
C(CC)(=O)Cl.NC1=CC=C(C=C1)C=1N(C2=CC(=CC=C2C1C#N)N1CCN(CC1)C)CC>>C(#N)C1=C(N(C2=CC(=CC=C12)N1CCN(CC1)C)CC)C1=CC=C(C=C1)NC(CC)=O | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH2:13][C@@H:14]3[CH2:18][CH2:17][N:16]([C:19]([O:21]C(C)(C)C)=O)[CH2:15]3)[C:11]([CH3:26])=[N:10][N:9]=2)=[CH:4][CH:3]=1.Cl.O1CCOCC1.CCN([CH:40]([CH3:42])[CH3:41])C(C)C.C1(C(Cl)=O)CC1>C(Cl)Cl>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH2:13][C@@H:14]3[CH2:18][CH2:17][N:16]([C:19]([CH:40]4[CH2:42][CH2:41]4)=[O:21])[CH2:15]3)[C:11]([CH3:26])=[N:10][N:9]=2)=[CH:4][CH:3]=1 | 2 |
N1=CC(=CC2=CC=CC=C12)B(O)O.C(C)(C)(C)OC(=O)N1CCOC2=C(C1)C=C(C=C2)Br>>N1=CC(=CC2=CC=CC=C12)C=1C=CC2=C(CN(CCO2)C(=O)OC(C)(C)C)C1 | 5 |
C(C)OC1(CC1)O[Si](C)(C)C.BrC=1C=CC(=NC1)N1CCNCC1>>BrC=1C=CC(=NC1)N1CCN(CC1)C1CC1 | 5 |
CC([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5[C@@H](C[C@]4(C)[C@H]3C(C[C@]12C)=O)O5)=O>[Cu]I.C(C)OCC.C(CCC)[Li].CCCCCC.[Cl-].[NH4+]>C(CCC)[C@@H]1[C@H](C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@]4(CC([C@@H]3[C@]2(C1)C)=O)C)O | 3 |
[CH3:1][C:2]([CH3:9])([CH3:8])[C:3](=O)[CH2:4][C:5]#[N:6].[ClH:10].[NH:11]([C:13]1[CH:14]=[C:15]([CH:20]=[CH:21][CH:22]=1)[O:16][CH2:17][CH2:18][OH:19])[NH2:12]>CO>[ClH:10].[NH2:6][C:5]1[N:11]([C:13]2[CH:14]=[C:15]([CH:20]=[CH:21][CH:22]=2)[O:16][CH2:17][CH2:18][OH:19])[N:12]=[C:3]([C:2]([CH3:9])([CH3:8])[CH3:1])[CH:4]=1 | 2 |
S1C2=C(C=C1CC=1C(=CC(=C(C1)C1(O[C@@H]([C@H]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)F)COCC1=CC=CC=C1)O)OCC1=CC=CC=C1)OC)C=CC=C2>CC#N.ClCCl.B(F)(F)F.CCOCC.C(C)[SiH](CC)CC>S1C2=C(C=C1CC=1C(=CC(=C(C1)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)F)COCC1=CC=CC=C1)OCC1=CC=CC=C1)OC)C=CC=C2 | 3 |
[C:1]([NH:5][C:6]([NH:8][C:9]1[C:10]([CH3:28])=[CH:11][C:12]2[O:16][CH2:15][C@H:14]([C:17]3[CH:22]=[CH:21][C:20]([CH:23]([CH3:25])[CH3:24])=[CH:19][CH:18]=3)[C:13]=2[C:26]=1[CH3:27])=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:29](OCC)(=[O:31])C.CCCCCC>C(Cl)(Cl)Cl>[C:1]([NH:5][C:6]([NH:8][C:9]1[C:10]([CH3:28])=[C:11]([CH:29]=[O:31])[C:12]2[O:16][CH2:15][C@H:14]([C:17]3[CH:18]=[CH:19][C:20]([CH:23]([CH3:24])[CH3:25])=[CH:21][CH:22]=3)[C:13]=2[C:26]=1[CH3:27])=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
C1(=CC=CC=C1)SSC1=CC=CC=C1.C(C)(C)(C)OC(=O)N1[C@H](CN(CC1)C(=O)C1=CC=CC2=CC=CC=C12)CCO>C1CCCO1.C(CCC)P(CCCC)CCCC>C(C)(C)(C)OC(=O)N1[C@H](CN(CC1)C(=O)C1=CC=CC2=CC=CC=C12)CCSC1=CC=CC=C1 | 3 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([CH:11]=[CH:12][C:13]([OH:15])=O)=[CH:7][CH:6]=1)(=[O:4])=[O:3].S(Cl)(Cl)=O.[CH3:20][N:21]1[C@@H:25]([CH3:26])[C@@H:24]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[NH:23][C:22]1=[O:33]>C(Cl)Cl.CCN(C(C)C)C(C)C>[CH3:1][S:2]([C:5]1[CH:6]=[CH:7][C:8](/[CH:11]=[CH:12]/[C:13]([N:23]2[C@H:24]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[C@H:25]([CH3:26])[N:21]([CH3:20])[C:22]2=[O:33])=[O:15])=[CH:9][CH:10]=1)(=[O:3])=[O:4] | 2 |
[OH:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([O:12][C:13]3[CH:18]=[C:17]([CH3:19])[C:16]([CH3:20])=[CH:15][C:14]=3[C:21](=[O:23])[CH3:22])=[CH:7][CH:8]=[N:9]2)=[CH:4][C:3]=1[O:24][CH3:25].Br[CH2:27][CH2:28][Cl:29].C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[Cl:29][CH2:28][CH2:27][O:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([O:12][C:13]3[CH:18]=[C:17]([CH3:19])[C:16]([CH3:20])=[CH:15][C:14]=3[C:21](=[O:23])[CH3:22])=[CH:7][CH:8]=[N:9]2)=[CH:4][C:3]=1[O:24][CH3:25] | 1 |
ClC1=NC2=CC(=NC=C2C=C1)CNC(OC(C)(C)C)=O.FC1(C(C1)C1=NC=CC(=N1)[Sn](CCCC)(CCCC)CCCC)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(C(C1)C1=NC=CC(=N1)C1=NC2=CC(=NC=C2C=C1)CNC(OC(C)(C)C)=O)F | 3 |
C(C)OC(CC(=O)C1=CC=C(C=C1)N=O)=O>O.ClCCl.F.I(=O)C1=CC=CC=C1>C(C)OC(C(C(=O)C1=CC=C(C=C1)N=O)F)=O | 3 |
FC=1C=C(C=CC1C(F)(F)F)CC(=O)NC1=C2CCNCC2=CC=C1OC.OC1(CC(CCC1)(C)C)CC(=O)O>>FC=1C=C(C=CC1C(F)(F)F)CC(=O)NC1=C2CCN(CC2=CC=C1OC)C(CC1(CC(CCC1)(C)C)O)=O | 5 |
C(C)(C)(C)OC(=O)NC(C(=O)N1C(CC(C1)OC1=CC(=NC2=CC(=CC=C12)OC)C1=CC=CC=C1)C(=O)O)C(C)(C)C.Cl.COC(=O)C1(CCC1)N>O.ClCCl.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.F[P-](F)(F)(F)(F)F>COC(=O)C1(CCC1)NC(=O)C1N(CC(C1)OC1=CC(=NC2=CC(=CC=C12)OC)C1=CC=CC=C1)C(C(C(C)(C)C)NC(=O)OC(C)(C)C)=O | 3 |
ClC1=CC=C(S1)C(=O)O>>ClC1=CC=C(S1)NC(OC(C)(C)C)=O | 5 |
BrCCC1=CC(=CC=C1)C.COC(=O)C1=CC2=C(OC(O2)(F)F)C(=C1)O>>COC(=O)C1=CC2=C(OC(O2)(F)F)C(=C1)OCCC=1C=C(C=CC1)C | 5 |
[Sn](Cl)(Cl)(Cl)Cl.[S:6]1[CH:10]=[CH:9][C:8]2[CH:11]=[C:12]([C:15]3(O)[C:24]4[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=4)[CH2:18][N:17]([CH3:25])[CH2:16]3)[CH:13]=[CH:14][C:7]1=2.C[Si]([C:31]#[N:32])(C)C.C(=O)([O-])[O-].[K+].[K+].O.[F-].[K+]>ClCCl.O>[S:6]1[CH:10]=[CH:9][C:8]2[CH:11]=[C:12]([C:15]3([C:31]#[N:32])[C:24]4[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=4)[CH2:18][N:17]([CH3:25])[CH2:16]3)[CH:13]=[CH:14][C:7]1=2 | 1 |
[Si:1]([O:8][C@@H:9]1[C@@H:13]([OH:14])[C@@H:12]([CH2:15][O:16][Si:17]([C:20]([CH3:23])([CH3:22])[CH3:21])([CH3:19])[CH3:18])[O:11][C@H:10]1[N:24]1[CH:31]=[CH:30][C:28](=[O:29])[NH:27][C:25]1=[O:26])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[C:32](OC(=O)C)(=[O:34])[CH3:33].O>N1C=CC=CC=1>[C:32]([O:14][C@H:13]1[C@@H:12]([CH2:15][O:16][Si:17]([C:20]([CH3:22])([CH3:23])[CH3:21])([CH3:18])[CH3:19])[O:11][C@@H:10]([N:24]2[CH:31]=[CH:30][C:28](=[O:29])[NH:27][C:25]2=[O:26])[C@@H:9]1[O:8][Si:1]([C:4]([CH3:5])([CH3:6])[CH3:7])([CH3:2])[CH3:3])(=[O:34])[CH3:33] | 2 |
C([NH:4][C:5]1[C:15]([O:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)=[CH:14][C:8]2[C:9](=[O:13])[CH2:10][CH2:11][O:12][C:7]=2[CH:6]=1)(=O)C.Cl>C(O)C>[NH2:4][C:5]1[C:15]([O:16][C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=2)=[CH:14][C:8]2[C:9](=[O:13])[CH2:10][CH2:11][O:12][C:7]=2[CH:6]=1 | 1 |
C(C)OC(COC1=C(C=C(C=C1)OCC=1SC=C(N1)C=1C=CC2=C(N=C(O2)C)C1)C)=O>BrBr.ClCCl.c1ccncc1>C(C)OC(COC1=C(C=C(C=C1)OCC=1SC(=C(N1)C=1C=CC2=C(N=C(O2)C)C1)Br)C)=O | 3 |
BrCC1=CC=2N=C(N=C(C2S1)N1CCOCC1)Cl.Cl.CN(S(=O)(=O)C)C1CNCC1>CC#N.C([O-])([O-])=O.[K+].[K+]>CN(S(=O)(=O)C)C1CN(CC1)CC1=CC=2N=C(N=C(C2S1)N1CCOCC1)C | 3 |
ClC=1C=CC=2CN(C[C@H](OC2N1)C1=CC=CC=C1)C.C(C)(=O)O[Pd]C1=C(C=CC=C1)C1=C(C=CC=C1)P(C(C)(C)C)C(C)(C)C.COC1=C(C=CC(=N1)N)C=1C=NN(C1)C>>COC1=C(C=CC(=N1)NC=1C=CC=2CN(C[C@H](OC2N1)C1=CC=CC=C1)C)C=1C=NN(C1)C | 5 |
[C:1]([C:3]1[CH:4]=[C:5]([C:13]2[S:17][C:16]([C:18]3[C:19]([CH2:32][CH3:33])=[C:20]([CH2:24][CH2:25][CH2:26][C:27]([O:29]CC)=[O:28])[CH:21]=[CH:22][CH:23]=3)=[N:15][N:14]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH:10]([CH3:12])[CH3:11])#[N:2].[OH-].[Na+].Cl>O1CCCC1.O>[C:1]([C:3]1[CH:4]=[C:5]([C:13]2[S:17][C:16]([C:18]3[C:19]([CH2:32][CH3:33])=[C:20]([CH2:24][CH2:25][CH2:26][C:27]([OH:29])=[O:28])[CH:21]=[CH:22][CH:23]=3)=[N:15][N:14]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH:10]([CH3:12])[CH3:11])#[N:2] | 2 |
ClC1=C(C=C(C(=O)NC(CCNC(OC(C)(C)C)=O)C2=CC=CC=C2)C=C1)NC(=O)C1=CC2=C(N=C(N=C2)NCCCN2CCN(CC2)C)NC1=O>>Cl.NCCC(C1=CC=CC=C1)NC(=O)C=1C=CC(=C(C1)NC(=O)C1=CC2=C(N=C(N=C2)NCCCN2CCN(CC2)C)NC1=O)Cl | 5 |
C(C=C)O.BrC=1C=C2C=CC=NC2=CC1>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.F[B-](F)(F)F.C(C)(C)(C)[PH+](C(C)(C)C)C(C)(C)C.C1(CCCCC1)N(C)C1CCCCC1>N1=CC=CC2=CC(=CC=C12)CCC=O | 3 |
ClC1=C(N)C(=CC(=C1)Br)Cl>S(O)(O)(=O)=O.[I-].[K+].N(=O)[O-].[Na+]>ClC1=C(C(=CC(=C1)Br)Cl)I | 3 |
NC1CC(NC(C1)(C)C)(C)C.C1(=CC=CC=C1)NC1=CC=C(C=N1)C(=O)O>>C1(=CC=CC=C1)NC1=NC=C(C(=O)NC2CC(NC(C2)(C)C)(C)C)C=C1 | 5 |
[CH3:1][N:2]1[C:7](=[O:8])[CH2:6][O:5][C:4]2[N:9]=[C:10]([C:19]3[CH:33]=[CH:32][C:22]([CH2:23][NH:24]C(=O)OC(C)(C)C)=[CH:21][CH:20]=3)[C:11]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)=[CH:12][C:3]1=2>C(O)(C(F)(F)F)=O>[NH2:24][CH2:23][C:22]1[CH:21]=[CH:20][C:19]([C:10]2[C:11]([C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=3)=[CH:12][C:3]3[N:2]([CH3:1])[C:7](=[O:8])[CH2:6][O:5][C:4]=3[N:9]=2)=[CH:33][CH:32]=1 | 1 |
NC1=C(C(=O)OC)C=C(C(=C1I)Cl)C(F)(F)F>O.[OH-].[Na+].O1CCOCC1>NC1=C(C(=O)O)C=C(C(=C1I)Cl)C(F)(F)F | 3 |
C(C)(=O)OCC1(CC1)C1=CC=C(C=C1)C=1C=C2CC(NC2=CC1Cl)=O>c1cnc[nH]1.ClCCCl.P(=O)(Cl)(Cl)Cl>C(C)(=O)OCC1(CC1)C1=CC=C(C=C1)C=1C=C2C=C(NC2=CC1Cl)Cl | 3 |
[Br-].COC([C@H](C[Zn+])C)=O.C(C)(C)(C)OC(N(CC=1OC=CC1)C=1C2=C(N=C(N1)Cl)C(=C(S2)I)C)=O>C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[NH4+]>C(C)(C)(C)OC(=O)N(C=1C2=C(N=C(N1)Cl)C(=C(S2)C[C@@H](C(=O)OC)C)C)CC=2OC=CC2 | 3 |
C(C=C)(=O)Cl.C1N(CC12OCNC2)C(=O)OC(C)(C)C>O.ClCCl.C(O)([O-])=O.[Na+]>C(C=C)(=O)N1COC2(CN(C2)C(=O)OC(C)(C)C)C1 | 3 |
COC(\C=C\C=1C=CC2=C(C(N(C3(CCN(CC3)C(=O)OC(C)(C)C)O2)CC2=CC=CC=C2)=O)C1)=O>>C(C)(C)(C)OC(=O)N1CCC2(CC1)OC1=C(C(N2CC2=CC=CC=C2)=O)C=C(C=C1)/C=C/C(=O)O | 5 |
C(C(=O)C)(=O)OC.CC1=C(N=C(O1)C1=CC=C(C=C1)C)CCOC1=CC=C(CC(CO)CO)C=C1>>COC(=O)C1(OCC(CO1)CC1=CC=C(C=C1)OCCC=1N=C(OC1C)C1=CC=C(C=C1)C)C | 5 |
[C-]#N.[Zn+2].[C-]#N.C(C)OC(C1=CC(=NC=C1)C=1C=C2C=CNC2=C(C1)Br)=O>CN1C(CCC1)=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)OC(C1=CC(=NC=C1)C=1C=C2C=CNC2=C(C1)C#N)=O | 3 |
C([Sn](CCCC)(CCCC)[C:6]1[N:11]=[CH:10][C:9]2[CH:12]=[N:13][N:14]([CH:15]3[CH2:20][CH2:19][CH2:18][CH2:17][O:16]3)[C:8]=2[CH:7]=1)CCC.Cl[C:30]1[CH:35]=[N:34][CH:33]=[C:32]([CH3:36])[N:31]=1.C1(P(C2CCCCC2)C2CCCCC2)CCCCC1>CN(C)C(=O)C.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]>[CH3:36][C:32]1[N:31]=[C:30]([C:6]2[N:11]=[CH:10][C:9]3[CH:12]=[N:13][N:14]([CH:15]4[CH2:20][CH2:19][CH2:18][CH2:17][O:16]4)[C:8]=3[CH:7]=2)[CH:35]=[N:34][CH:33]=1 | 1 |
CN.C(C)OC(N(CC1=CC=CC=C1)C1=C(C(=NC(=C1)Br)N)[N+](=O)[O-])=O>C1CCCO1>C(C)OC(N(CC1=CC=CC=C1)C1=C(C(=NC(=C1)NC)N)[N+](=O)[O-])=O | 3 |
IC1=NC=CC=C1.C(CCC#C)(=O)OCC>>N1=C(C=CC=C1)C#CCCC(=O)OCC | 5 |
[CH3:1][Li].[Cl:3][C:4]1[C:5]([Cl:13])=[N:6][CH:7]=[C:8]([CH:12]=1)[C:9]([OH:11])=O.O>CCOCC>[Cl:13][C:5]1[C:4]([Cl:3])=[CH:12][C:8]([C:9](=[O:11])[CH3:1])=[CH:7][N:6]=1 | 1 |
ClC=1C=C(C=C(C1F)Cl)C1(CC(=NO1)C1=CC=C(C2=CC=CC=C12)C(=O)OC)C(F)(F)F>O.[Li].C(C)(=O)OCC.O1CCOCC1.CCCCCCC>ClC=1C=C(C=C(C1F)Cl)C1(CC(=NO1)C1=CC=C(C2=CC=CC=C12)C(=O)O)C(F)(F)F | 3 |
[Cl:1][C:2]1[C:7]([Cl:8])=[C:6]([C:9]2[S:13][C:12]([C:14]#[N:15])=[N:11][C:10]=2[C:16]([N:18]2[CH2:23][CH2:22][CH2:21][CH2:20][C@@H:19]2[CH3:24])=[O:17])[CH:5]=[CH:4][C:3]=1[S:25]([NH:28][C@@H:29]([CH2:34][CH3:35])[C:30]([F:33])([F:32])[F:31])(=[O:27])=[O:26].[N-:36]=[N+:37]=[N-:38].[Na+].O>CN(C=O)C>[Cl:1][C:2]1[C:7]([Cl:8])=[C:6]([C:9]2[S:13][C:12]([C:14]3[NH:38][N:37]=[N:36][N:15]=3)=[N:11][C:10]=2[C:16]([N:18]2[CH2:23][CH2:22][CH2:21][CH2:20][C@@H:19]2[CH3:24])=[O:17])[CH:5]=[CH:4][C:3]=1[S:25]([NH:28][C@@H:29]([CH2:34][CH3:35])[C:30]([F:31])([F:32])[F:33])(=[O:26])=[O:27] | 2 |
[CH2:1]([N:12]([CH2:24][C:25]([OH:27])=[O:26])[CH2:13][CH2:14][N:15]([CH2:20][C:21]([OH:23])=O)[CH2:16][C:17]([OH:19])=[O:18])[CH2:2][N:3]([CH2:8][C:9]([OH:11])=[O:10])[CH2:4][C:5]([OH:7])=O>C(Cl)Cl>[CH2:20]1[N:15]([CH2:14][CH2:13][N:12]([CH2:24][C:25]([OH:27])=[O:26])[CH2:1][CH2:2][N:3]2[CH2:8][C:9](=[O:10])[O:11][C:5](=[O:7])[CH2:4]2)[CH2:16][C:17](=[O:19])[O:18][C:21]1=[O:23] | 1 |
BrCC(C)Br.FC(C1=C(C=CC=C1)CC#N)(F)F>C(C)OCC.CS(=O)C.[H-].[Na+]>FC(C1=C(C=CC=C1)C1(CCC1)C#N)(F)F | 3 |
[Cl:1][C:2]1[C:3]([CH2:18][OH:19])=[N:4][O:5][C:6]=1[C:7]1[CH:12]=[CH:11][C:10]([C:13]([F:16])([F:15])[F:14])=[C:9]([F:17])[CH:8]=1.C(N(CC)CC)C.O.O.P([O-])(O)(O)=[O:30].[Na+].CC(=CC)C.Cl([O-])=O.[Na+]>ClCCl.CS(C)=O.C(OC(=O)C)C.O1CCCC1>[Cl:1][C:2]1[C:3]([C:18]([OH:30])=[O:19])=[N:4][O:5][C:6]=1[C:7]1[CH:12]=[CH:11][C:10]([C:13]([F:16])([F:15])[F:14])=[C:9]([F:17])[CH:8]=1 | 1 |
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