smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
S1C=NC2=C1C=CC(=C2)[C@H]2N(C[C@@H](C(C2)OC)C)C(C(=O)NC=2C=C(C(=NC2)NC(OC(C)(C)C)=O)C2CC2)=O>O.O1CCOCC1>NC1=C(C=C(C=N1)NC(C(=O)N1[C@@H](CC([C@H](C1)C)OC)C=1C=CC2=C(N=CS2)C1)=O)C1CC1 | 3 |
FC(C(=O)O)(CC=C)F>CC#N.II.C(O)([O-])=O.[Na+].[O-]S(=O)[O-].[Na+].[Na+]>FC1(C(OC(C1)CI)=O)F | 3 |
ClC1=NC(=CC(=C1CN(CC(O)C1OCCC1)C)C)Cl>C1CCCO1.CC(C)(C)[O-].[Na+]>ClC=1C=C(C=2CN(CC(OC2N1)C1OCCC1)C)C | 3 |
[CH2:1]1[CH2:6][CH2:5][C:4]([OH:9])([C:7]#[N:8])[CH2:3][CH2:2]1.[H-].[H-].[H-].[H-].[Li+].[Al+3].[OH-].[Na+].C(C(C(C([O-])=O)O)O)([O-])=O.[K+].[Na+]>C1COCC1.C(Cl)Cl.O>[NH2:8][CH2:7][C:4]1([OH:9])[CH2:5][CH2:6][CH2:1][CH2:2][CH2:3]1 | 1 |
CI.ClC=1C=CC2=C(C(=NCC=3N2C(=NN3)CON)C3=CC=CC=C3)C1>N(C)(C)C=O.[H-].[Na+]>ClC=1C=CC2=C(C(=NCC=3N2C(=NN3)CONC)C3=CC=CC=C3)C1 | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)B(O)O)(F)F.[Si](C)(C)(C(C)(C)C)O[C@@H]1CC[C@H](CC1)N1N=CC(=C1)C1=C2C(=C(N=C1)N)OC(=C2)Cl>>FC(C=1C=C(C=C(C1)C(F)(F)F)C1=CC=2C(=C(N=CC2C=2C=NN(C2)[C@@H]2CC[C@H](CC2)O[Si](C)(C)C(C)(C)C)N)O1)(F)F | 5 |
FC(F)(F)C(O)=O.COC1C=CC(C[O:15][C:16]2[N:21]=[C:20]([C:22]3[CH:35]=[CH:34][CH:33]=[C:32]4[C:23]=3[S:24][C:25]3[CH:26]=[CH:27][C:28]([NH:36][CH:37]([CH:45]5[CH2:50][CH2:49][N:48]([CH3:51])[CH2:47][CH2:46]5)[C:38]5[CH:43]=[CH:42][C:41]([CH3:44])=[CH:40][N:39]=5)=[CH:29][C:30]=3[S:31]4)[CH:19]=[C:18]([N:52]3[CH2:57][CH2:56][O:55][CH2:54][CH2:53]3)[CH:17]=2)=CC=1.C(=O)([O-])O.[Na+]>C(Cl)(Cl)Cl>[CH3:51][N:48]1[CH2:49][CH2:50][CH:45]([CH:37]([NH:36][C:28]2[CH:29]=[C:30]3[C:25](=[CH:26][CH:27]=2)[S:24][C:23]2[C:22]([C:20]4[NH:21][C:16](=[O:15])[CH:17]=[C:18]([N:52]5[CH2:53][CH2:54][O:55][CH2:56][CH2:57]5)[CH:19]=4)=[CH:35][CH:34]=[CH:33][C:32]=2[S:31]3)[C:38]2[CH:43]=[CH:42][C:41]([CH3:44])=[CH:40][N:39]=2)[CH2:46][CH2:47]1 | 2 |
Cl.C(OC([NH:9][CH:10](C)[CH2:11][N:12]1[C:16]([C:17](OCC)=[O:18])=[CH:15][C:14]([CH2:22][O:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)=[N:13]1)=O)(C)(C)C>O1CCOCC1>[O:23]([CH2:22][C:14]1[CH:15]=[C:16]2[C:17](=[O:18])[NH:9][CH2:10][CH2:11][N:12]2[N:13]=1)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 2 |
[C:1]([NH:5][C:6]1[C:15]2[C:10](=[C:11]([NH2:16])[CH:12]=[CH:13][CH:14]=2)[N:9]=[CH:8][N:7]=1)([CH3:4])([CH3:3])[CH3:2].[F:17][CH:18]([F:35])[C:19]1[N:27]=[CH:26][C:25]([CH2:28][NH:29][C:30](=[O:34])[CH:31]([CH3:33])[CH3:32])=[CH:24][C:20]=1[C:21](O)=[O:22].C(Cl)(=O)C(Cl)=O.CCN(C(C)C)C(C)C>CN(C=O)C.C(Cl)Cl>[C:1]([NH:5][C:6]1[C:15]2[C:10](=[C:11]([NH:16][C:21](=[O:22])[C:20]3[CH:24]=[C:25]([CH2:28][NH:29][C:30](=[O:34])[CH:31]([CH3:33])[CH3:32])[CH:26]=[N:27][C:19]=3[CH:18]([F:35])[F:17])[CH:12]=[CH:13][CH:14]=2)[N:9]=[CH:8][N:7]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
NC1=C(C=CC=C1)N.C(C)(C)(C)OC(=O)C1CC(CCC1)C(=O)O>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.Cl.CN(CCCN=C=NCC)C>Cl.Cl.N1C(=NC2=C1C=CC=C2)C2CC(CCC2)N | 3 |
BrC=1C(=NC(=C(N1)C=1C=C2C=NC=NC2=CC1)C1=CC=CC=C1)N>N(C)(C)C=O.[Cu+].[C-]#N>NC=1C(=NC(=C(N1)C1=CC=CC=C1)C=1C=C2C=NC=NC2=CC1)C#N | 3 |
BrC=1C=NC=C2C=CC(=NC12)C(=O)O.Cl.CS(=O)(=O)C=1C=C(C=CC1)C(C)N>>BrC=1C=NC=C2C=CC(=NC12)C(=O)NC(C)C1=CC(=CC=C1)S(=O)(=O)C | 5 |
[N+:1]([C:4]1[CH:21]=[CH:20][C:7]([O:8][C:9]2[C:18]3[C:13](=[CH:14][C:15]([OH:19])=[CH:16][CH:17]=3)[N:12]=[CH:11][CH:10]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2].[OH-].[Na+].[CH3:24][C:25]1([O:28][CH2:27]1)[CH3:26]>O.C(Cl)Cl>[CH3:24][C:25]([OH:28])([CH3:27])[CH2:26][O:19][C:15]1[CH:14]=[C:13]2[C:18]([C:9]([O:8][C:7]3[CH:20]=[CH:21][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=3)=[CH:10][CH:11]=[N:12]2)=[CH:17][CH:16]=1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C@@H:9]2[C:18]3[C:13](=[C:14]([F:20])[CH:15]=[CH:16][C:17]=3[F:19])[O:12][CH2:11][C@H:10]2[CH:21]=O)=[CH:4][CH:3]=1.[CH2:23]([CH2:25][NH2:26])[OH:24].[BH4-].[Na+].CO>C1COCC1.C(OCC)(=O)C.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([S:8][CH:9]2[C:18]3[C:13](=[C:14]([F:20])[CH:15]=[CH:16][C:17]=3[F:19])[O:12][CH2:11][CH:10]2[CH2:21][NH:26][CH2:25][CH2:23][OH:24])=[CH:6][CH:7]=1 | 1 |
C(C1=CC=CC=C1)OC1=C(C=O)C=C(C=C1)Br>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cu+].[C-]#N>C(C1=CC=CC=C1)OC1=C(C=C(C#N)C=C1)C=O | 3 |
[NH2:1][CH:2]1[CH2:11][C:10]2[N:9]=[CH:8][C:7]([N:12]3[C:17](=[O:18])[CH:16]=[N:15][C:14]4[N:19]=[CH:20][C:21]([O:23][CH3:24])=[CH:22][C:13]3=4)=[CH:6][C:5]=2[CH2:4][CH2:3]1.N.[O:26]1[C:35]2[CH:34]=[C:33]([CH:36]=O)[N:32]=[CH:31][C:30]=2[O:29][CH2:28][CH2:27]1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)(O)[O-].[Na+]>CO.ClCCl>[O:26]1[C:35]2[CH:34]=[C:33]([CH2:36][NH:1][CH:2]3[CH2:11][C:10]4[N:9]=[CH:8][C:7]([N:12]5[C:17](=[O:18])[CH:16]=[N:15][C:14]6[N:19]=[CH:20][C:21]([O:23][CH3:24])=[CH:22][C:13]5=6)=[CH:6][C:5]=4[CH2:4][CH2:3]3)[N:32]=[CH:31][C:30]=2[O:29][CH2:28][CH2:27]1 | 2 |
[C:1]([C:4]1[CH:11]=[CH:10][C:7]([CH:8]=[O:9])=[CH:6][CH:5]=1)([OH:3])=O.[CH2:12]([N:14](CC)[CH2:15][CH3:16])[CH3:13].C(Cl)(=O)C(C)(C)C.C(NCC)C>O1CCCC1>[CH:8]([C:7]1[CH:10]=[CH:11][C:4]([C:1]([N:14]([CH2:15][CH3:16])[CH2:12][CH3:13])=[O:3])=[CH:5][CH:6]=1)=[O:9] | 1 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[C:8]([N+:12]([O-:14])=[O:13])=[C:7]([O:15][CH3:16])[CH:6]=[CH:5]2.[CH3:17][C:18]1(C)C(C)(C)OB(C=C)O1.[F-].[K+]>C1COCC1.O.CCOC(C)=O>[CH3:16][O:15][C:7]1[CH:6]=[CH:5][C:4]2[C:9](=[CH:10][CH:11]=[C:2]([CH:17]=[CH2:18])[CH:3]=2)[C:8]=1[N+:12]([O-:14])=[O:13] | 2 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:14][CH3:15])=[C:6]([C:8]2[CH:9]=[N:10][NH:11][C:12]=2[NH2:13])[CH:7]=1.[H-].[Na+].Br[CH2:19][CH2:20][CH2:21]Br>CN(C=O)C.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:14][CH3:15])=[C:6]([C:8]2[CH:9]=[N:10][N:11]3[CH2:21][CH2:20][CH2:19][NH:13][C:12]=23)[CH:7]=1 | 2 |
COC1=NC(=CC=C1OC)CN.C1(CCCC1)C1=C(C=C(C=N1)C=1C=NC=C(C1)C)C(=O)[O-].[Na+]>CC#N.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>C1(CCCC1)C1=C(C=C(C=N1)C=1C=NC=C(C1)C)C(=O)NCC1=NC(=C(C=C1)OC)OC | 3 |
[Cl:1][C:2]1[C:7]2=[N:8][CH:9]=[C:10]([O:12][CH2:13][C:14]3OC=CN=3)[N:11]=[C:6]2[CH:5]=[CH:4][N:3]=1.Cl[C:20]1N=C2C=CN=C(Cl)C2=N[CH:25]=1.CC(O)C#CC>>[CH2:13]([O:12][C:10]1[N:11]=[C:6]2[CH:5]=[CH:4][N:3]=[C:2]([Cl:1])[C:7]2=[N:8][CH:9]=1)[C:14]#[C:20][CH3:25] | 2 |
C1[C@H]([C@H](CC=C1)C(=O)OCC)C(=O)OCC>C(Cl)(Cl)(Cl)[H].[OH-].[Na+].[Cl-].C(C)[N+](CC1=CC=CC=C1)(CC)CC>ClC1([C@H]2CC(C(C[C@@H]12)C(=O)OCC)C(=O)OCC)Cl | 3 |
[NH:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:6][C:7]([CH3:9])=O.[C-]#[N:11].[K+].[C:13]1([CH3:19])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>O>[CH3:6][C:7]([N:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1)([CH3:9])[CH:19]([NH2:11])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 2 |
Br[C:2]1[CH:3]=[C:4]([CH:16]=[O:17])[S:5][C:6]=1[S:7]([C:10]1[CH:11]=[N:12][CH:13]=[CH:14][CH:15]=1)(=[O:9])=[O:8].[Cl:18][C:19]1[C:24](B(O)O)=[CH:23][CH:22]=[CH:21][N:20]=1.C(=O)([O-])[O-].[Na+].[Na+].COCCOC>[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O>[Cl:18][C:19]1[C:24]([C:2]2[CH:3]=[C:4]([CH:16]=[O:17])[S:5][C:6]=2[S:7]([C:10]2[CH:11]=[N:12][CH:13]=[CH:14][CH:15]=2)(=[O:9])=[O:8])=[CH:23][CH:22]=[CH:21][N:20]=1 | 2 |
CN.C(C)(C)O.COC1=C(C=C(C=C1C(=O)N1C(SCC1)=S)C(=O)N1C(SCC1)=S)C(=O)N1C(SCC1)=S>>COC1=C(C=C(C(=O)NC)C=C1C(=O)N1C(SCC1)=S)C(=O)N1C(SCC1)=S | 5 |
C(CCC)N=C=O>C(C)OCC.C(C)(C)O.C(CN)N>C(CCC)NC(=O)NCCN | 3 |
[C:1]1([S:7]([N@@:10]2[CH2:12][CH:11]2[C:13]([N:15]2[CH2:20][CH2:19][N:18]([C:21]3[CH:26]=[C:25]([CH3:27])[CH:24]=[CH:23][C:22]=3[CH3:28])[CH2:17][CH2:16]2)=[O:14])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[I-].[Na+].[C:31]1([N:37]=[C:38]=[O:39])[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>>[C:1]1([S:7]([N:10]2[CH2:12][C@H:11]([C:13]([N:15]3[CH2:16][CH2:17][N:18]([C:21]4[CH:26]=[C:25]([CH3:27])[CH:24]=[CH:23][C:22]=4[CH3:28])[CH2:19][CH2:20]3)=[O:14])[N:37]([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)[C:38]2=[O:39])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C1(=CC=CC=C1)S(=O)(=O)Cl.NCC1CN(CCO1)C=1SC2=C(N1)CC(CC2=O)(C)C>ClCCl.c1ccncc1>CC1(CC(C2=C(N=C(S2)N2CC(OCC2)CNS(=O)(=O)C2=CC=CC=C2)C1)=O)C | 3 |
FC(C1=C(C(=C2C(=N1)CN(C2)C(=O)OC(C)(C)C)C)C)F>CO[H].Cl>Cl.Cl.FC(C1=C(C(=C2C(=N1)CNC2)C)C)F | 3 |
C[Si](C)(C)C=[N+]=[N-].FC(C(=O)NC1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=C1)C(=O)Cl)(F)F>CC#N>[N+](=[N-])=CC(=O)C1=CC(=NC2=CC=CC=C12)C1=CC=C(C=C1)NC(C(F)(F)F)=O | 3 |
COC(=O)C1=CC=C2C(=CN(C2=C1)CC1=CC(=CC(=C1)F)F)SC1=C(C=CC=C1)[N+](=O)[O-]>>FC=1C=C(CN2C=C(C3=CC=C(C=C23)C(=O)O)SC2=C(C=CC=C2)[N+](=O)[O-])C=C(C1)F | 5 |
ClC1=C(NC2=CC=CC=C2)C=CC(=C1)F>>FC=1C=CC=2NC3=CC=CC=C3C2C1 | 5 |
ClC=1C=C(C=C(C1Cl)OCCN1CCOCC1)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>ClC=1C=C(N)C=C(C1Cl)OCCN1CCOCC1 | 3 |
CS([C:5]1[N:10]=[C:9]([O:11][C:12]2[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=2)[C:8]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=2)=[C:7]([C:25]2[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][C:26]=2[Cl:32])[N:6]=1)(=O)=O.C([Li])CCC.[CH:38]([OH:42])([CH2:40][CH3:41])[CH3:39]>>[CH:38]([O:42][C:5]1[N:10]=[C:9]([O:11][C:12]2[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=2)[C:8]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=2)=[C:7]([C:25]2[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][C:26]=2[Cl:32])[N:6]=1)([CH2:40][CH3:41])[CH3:39] | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([N:8]2[CH:12]=[N:11][C:10]([O:13][CH:14]([C:16]([OH:18])=O)[CH3:15])=[N:9]2)[CH:5]=[CH:6][CH:7]=1.C(N1C=CN=C1)([N:21]1C=CN=C1)=O.[OH-].[NH4+]>>[NH2:21][C:16]([CH:14]([O:13][C:10]1[N:11]=[CH:12][N:8]([C:4]2[CH:5]=[CH:6][CH:7]=[C:2]([Br:1])[CH:3]=2)[N:9]=1)[CH3:15])=[O:18] | 1 |
[O:1]=[C:2]1[CH:10](SC)[C:9]2[C:4](=[C:5]([O:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=3[NH2:20])[CH:6]=[CH:7][CH:8]=2)[NH:3]1>[Ni].O1CCOCC1>[O:1]=[C:2]1[CH2:10][C:9]2[C:4](=[C:5]([O:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=3[NH2:20])[CH:6]=[CH:7][CH:8]=2)[NH:3]1 | 1 |
Cl[C:2]1[C:6]2[CH:7]=[C:8]([CH:20]=[O:21])[C:9]([N:12]3[CH2:17][C@H:16]([CH3:18])[O:15][C@H:14]([CH3:19])[CH2:13]3)=[C:10]([F:11])[C:5]=2[O:4][N:3]=1.C1CCN2C(=NCCC2)CC1.[NH:33]1[CH:37]=[N:36][CH:35]=[N:34]1>C(#N)C>[CH3:19][C@H:14]1[O:15][C@@H:16]([CH3:18])[CH2:17][N:12]([C:9]2[C:8]([CH:20]=[O:21])=[CH:7][C:6]3[C:2]([N:33]4[CH:37]=[N:36][CH:35]=[N:34]4)=[N:3][O:4][C:5]=3[C:10]=2[F:11])[CH2:13]1 | 1 |
[F:1][C:2]1[CH:30]=[CH:29][C:5]([C:6]([CH:8]2[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][CH2:16][CH2:17][N:18]3[C:23](=[O:24])[C:22]4=[CH:25][S:26][CH:27]=[C:21]4[NH:20][C:19]3=[O:28])[CH2:10][CH2:9]2)=[O:7])=[CH:4][CH:3]=1.[C:31]([O:35][CH3:36])(=[O:34])[CH:32]=[CH2:33].CN(C=O)C>CCOCC.CCCCCC>[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([CH:8]2[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][CH2:16][CH2:17][N:18]3[C:23](=[O:24])[C:22]4=[CH:25][S:26][CH:27]=[C:21]4[N:20]([CH2:33][CH2:32][C:31]([O:35][CH3:36])=[O:34])[C:19]3=[O:28])[CH2:10][CH2:9]2)=[O:7])=[CH:29][CH:30]=1 | 1 |
N1N=CN=C1.CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C1=CC(=C(C=C1)Cl)CC=1SC(=CN1)C=1OC=CC1>>N1(N=CN=C1)C[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C1=CC(=C(C=C1)Cl)CC=1SC(=CN1)C=1OC=CC1 | 5 |
[C:1]([O:5][CH3:6])(=[O:4])[CH:2]=[CH2:3].[C:7](OC)(=O)[C:8](C)=[CH2:9]>C(O)CCC>[C:1]([O:5][CH2:6][CH2:7][CH2:8][CH3:9])(=[O:4])[CH:2]=[CH2:3] | 1 |
C(C1=CC=CC=C1)O[C@H]1[C@@H](O[C@@H]([C@H]1O)CBr)N1C(=O)NC(=O)C=C1>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C[C@@H]1[C@H]([C@H]([C@@H](O1)N1C(=O)NC(=O)C=C1)OCC1=CC=CC=C1)O | 3 |
N1=CC(=CC2=CC=CC=C12)C=O.CC(CCC)OC=1C=C(C=CC1)N>CO[H].[Na+].[BH4-]>CC(CCC)OC=1C=C(C=CC1)NCC=1C=NC2=CC=CC=C2C1 | 3 |
C(C1=CC=CC=C1)(=O)NN.CSC=1C2=C(NC3=C(N1)C=CC=N3)C=CC=C2>CO[H].ClCCl.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C1(=CC=CC=C1)C1=NN=C2N1C1=C(NC3=C2C=CC=C3)N=CC=C1 | 3 |
O=C1N(CCN1C1=CC=CC=C1)C(=O)Cl.NC1=CC(=C(OC2=C(C=NC3=CC(=C(C=C23)OC)OC)C#N)C=C1)F>>C(#N)C=1C=NC2=CC(=C(C=C2C1OC1=C(C=C(C=C1)NC(=O)N1C(N(CC1)C1=CC=CC=C1)=O)F)OC)OC | 5 |
C1(CCCCC1)C1C(=C(C(N1C1=CC=C(C=C1)C1=NOC=C1)=O)O)C(C1=CC=C(C=C1)OC)=O>ClCCl.B(Br)(Br)Br>C1(CCCCC1)C1C(=C(C(N1C1=CC=C(C=C1)C1=NOC=C1)=O)O)C(C1=CC=C(C=C1)O)=O | 3 |
C(O[C:6]([N:8](C)[C:9]1[N:14]=[C:13]([CH2:15][CH2:16][CH2:17][C:18]2[N:23]=[CH:22][C:21]([CH2:24][C@@H:25]([C:37]([O:39]C(C)(C)C)=[O:38])[NH:26][C:27]([C:29]3[C:34]([Cl:35])=[CH:33][CH:32]=[CH:31][C:30]=3[Cl:36])=[O:28])=[CH:20][CH:19]=2)[CH:12]=[CH:11][CH:10]=1)=O)(C)(C)C>C(O)(C(F)(F)F)=O>[Cl:35][C:34]1[CH:33]=[CH:32][CH:31]=[C:30]([Cl:36])[C:29]=1[C:27]([NH:26][C@H:25]([C:37]([OH:39])=[O:38])[CH2:24][C:21]1[CH:22]=[N:23][C:18]([CH2:17][CH2:16][CH2:15][C:13]2[CH:12]=[CH:11][CH:10]=[C:9]([NH:8][CH3:6])[N:14]=2)=[CH:19][CH:20]=1)=[O:28] | 2 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)O.C1(=CC=CC=C1)S(=O)(=O)O.IC1=C(N)C=CC(=C1)Cl>>C(C1=CC=CC=C1)(C1=CC=CC=C1)NC1=C(C=C(C=C1)Cl)I | 5 |
BrC(C1=NN=C2N1C=C(N=C2)C2=C(C=C(C=C2)OC(F)(F)F)COC2CC2)(F)F>CO[H].F[B-](F)(F)F.[Ag+]>C1(CC1)OCC1=C(C=CC(=C1)OC(F)(F)F)C=1N=CC=2N(C1)C(=NN2)C(OC)(F)F | 3 |
C[Si](C)(C)C=[N+]=[N-].NC1=NC(=C(C(=O)OC)C(=C1C=O)C1=CC=C(C=C1)C)C>CO[H].C(=O)([O-])[O-].[Cs+].[Cs+]>CC1=C(C(=C2C(=N1)NC=C2)C2=CC=C(C=C2)C)C(=O)OC | 3 |
C(=C)C1CCC(N1)=O>>NC(CCC(=O)O)C=C | 5 |
[C:1]1([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=[CH:5][C:4]([NH2:7])=[CH:3][CH:2]=1.[CH2:14]([O:21][C:22]1[CH:30]=[CH:29][C:25]([C:26](O)=[O:27])=[CH:24][C:23]=1[NH:31][C:32]([C:34]1([N:37]2[CH2:42][CH2:41][O:40][CH2:39][CH2:38]2)[CH2:36][CH2:35]1)=[O:33])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.F[P-](F)(F)(F)(F)F.N1(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)C2C=CC=CC=2N=N1.C(N(C(C)C)CC)(C)C>CN(C=O)C>[CH2:14]([O:21][C:22]1[CH:30]=[CH:29][C:25]([C:26]([NH:7][C:4]2[CH:3]=[CH:2][C:1]([C:8]3[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=3)=[CH:6][CH:5]=2)=[O:27])=[CH:24][C:23]=1[NH:31][C:32]([C:34]1([N:37]2[CH2:42][CH2:41][O:40][CH2:39][CH2:38]2)[CH2:36][CH2:35]1)=[O:33])[C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1 | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C:9]1[CH2:13][N:12]([C:14]([N:16]([CH3:18])[CH3:17])=[O:15])[C:11]([CH2:25][CH2:26][C:27](OC)=[O:28])([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:10]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1COCC1>[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C:9]1[CH2:13][N:12]([C:14]([N:16]([CH3:17])[CH3:18])=[O:15])[C:11]([CH2:25][CH2:26][CH2:27][OH:28])([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:10]=1 | 1 |
[CH3:1][O:2][C:3](=[O:30])[CH2:4][O:5][C:6]1[CH:15]=[CH:14][C:13]([F:16])=[C:12]2[C:7]=1[C:8](=[O:29])[C:9]([CH2:19][C:20]1[CH:25]=[CH:24][C:23]([C:26](=[O:28])[CH3:27])=[CH:22][CH:21]=1)=[C:10]([CH2:17][CH3:18])[NH:11]2.Cl[C:32](OC(=O)C)([F:34])[F:33]>>[CH3:1][O:2][C:3](=[O:30])[CH2:4][O:5][C:6]1[CH:15]=[CH:14][C:13]([F:16])=[C:12]2[C:7]=1[C:8]([O:29][CH:32]([F:34])[F:33])=[C:9]([CH2:19][C:20]1[CH:21]=[CH:22][C:23]([C:26](=[O:28])[CH3:27])=[CH:24][CH:25]=1)[C:10]([CH2:17][CH3:18])=[N:11]2 | 1 |
BrC1=CC(=C(C(=O)O)C=C1)F>>BrC1=CC(=C(C(=O)N2CCCC2)C=C1)F | 5 |
C1(=CC=CC=C1)C(CO)O.C(C)=O>>CC1OCC(O1)C1=CC=CC=C1 | 3 |
C(#N)C.[CH2:4]([O:6][C:7]([CH:9]1[CH2:18][CH2:17][C:12]2[N:13]=[C:14]([NH2:16])[S:15][C:11]=2[CH2:10]1)=[O:8])[CH3:5].[C:19](OC(=O)C)(=[O:21])[CH3:20]>C(N(CC)CC)C>[CH2:4]([O:6][C:7]([CH:9]1[CH2:18][CH2:17][C:12]2[N:13]=[C:14]([NH:16][C:19](=[O:21])[CH3:20])[S:15][C:11]=2[CH2:10]1)=[O:8])[CH3:5] | 2 |
[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([CH3:14])[C:7](=[O:13])[O:8][C:9]([CH3:12])([CH3:11])[CH3:10].[Cr](O[Cr]([O-])(=O)=O)([O-])(=O)=O.[NH+]1C=CC=CC=1.[NH+]1C=CC=CC=1>ClCCl>[CH3:14][N:6]([CH2:5][CH2:4][CH2:3][CH:2]=[O:1])[C:7](=[O:13])[O:8][C:9]([CH3:12])([CH3:10])[CH3:11] | 1 |
N1CCC(CC1)N1C=CC2=CC=C(C=C12)C(=O)N.COC=1C=C2CCC(NC2=CC1CC=O)=O>>COC=1C=C2CCC(NC2=CC1CCN1CCC(CC1)N1C=CC2=CC=C(C=C12)C(=O)N)=O | 5 |
NC=1C(=CC(=C(C1)C(F)(F)F)Cl)[N+](=O)[O-]>O.CCO[H].[Sn](Cl)Cl>ClC1=C(C=C(C(=C1)N)N)C(F)(F)F | 3 |
N1CCC(C2C3C(=C(C(N)=O)C=C(C4SC=CC=4)C=3)NC=2)CC1.[NH2:24][C:25]([C:27]1[CH:28]=[C:29]([C:49]2[CH:54]=[CH:53][C:52]([O:55][CH3:56])=[CH:51][CH:50]=2)[CH:30]=[C:31]2[C:35]=1[NH:34][CH:33]=[C:32]2[CH:36]1[CH2:41][CH2:40][N:39](C(OC(C)(C)C)=O)[CH2:38][CH2:37]1)=[O:26].Cl>CO>[CH3:56][O:55][C:52]1[CH:53]=[CH:54][C:49]([C:29]2[CH:30]=[C:31]3[C:35](=[C:27]([C:25]([NH2:24])=[O:26])[CH:28]=2)[NH:34][CH:33]=[C:32]3[CH:36]2[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]2)=[CH:50][CH:51]=1 | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=[O:6].O[CH2:11][CH2:12][C:13]1[C:21]2[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=2)[NH:15][CH:14]=1.FC(F)(F)C(O)=O>ClCCl>[Cl:1][C:2]1[CH:3]=[C:4]([CH:5]2[C:14]3[NH:15][C:16]4[C:21]([C:13]=3[CH2:12][CH2:11][O:6]2)=[CH:20][CH:19]=[CH:18][CH:17]=4)[CH:7]=[CH:8][CH:9]=1 | 2 |
C(CCC=C)(=O)Cl.CC1=CC=C(C=C1)C(CC1=CC=CC=C1)=O>>C(CC=C)C1=C(C(=NN1)C1=CC=C(C=C1)C)C1=CC=CC=C1 | 5 |
CN1C(C=C(C=C1)C1=C(C=NC=C1)NC(OC(C)(C)C)=O)=O>>CN1C(CC(CC1)C1=C(C=NC=C1)NC(OC(C)(C)C)=O)=O | 5 |
[CH2:1]1[C:4]2([CH2:9][CH2:8][NH:7][CH2:6][CH2:5]2)[CH2:3][CH:2]1[CH2:10][NH:11][C:12]([C:14]1[C:15]([NH:26][CH2:27][C:28]2[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[C:30]([Cl:36])[CH:29]=2)=[N:16][C:17]([N:20]2[CH2:25][CH:24]3[CH:22]([CH2:23]3)[CH2:21]2)=[N:18][CH:19]=1)=[O:13].[CH2:37]=O.[BH4-].[Na+]>CO>[CH:22]12[CH2:23][CH:24]1[CH2:25][N:20]([C:17]1[N:16]=[C:15]([NH:26][CH2:27][C:28]3[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[C:30]([Cl:36])[CH:29]=3)[C:14]([C:12]([NH:11][CH2:10][CH:2]3[CH2:3][C:4]4([CH2:5][CH2:6][N:7]([CH3:37])[CH2:8][CH2:9]4)[CH2:1]3)=[O:13])=[CH:19][N:18]=1)[CH2:21]2 | 1 |
CN1C(=NC=2C1=C(SC2C(=O)O)SC)C.Cl.FC(C1=NN(C=2CCCCC12)CCN)(F)F>>CN1C(=NC=2C1=C(SC2C(=O)NCCN2N=C(C=1CCCCC21)C(F)(F)F)SC)C | 5 |
C1CCNC(=O)C1.Cl.N1CCC(CC1)=O.BrC(C(=O)OC(C)C)(C)C>>CC(C(=O)OC(C)C)(C)N1CCC(CC1)=O | 5 |
[Br:1][C:2]1[C:3]([C:19]#[N:20])=[C:4]([CH:16]=[CH:17][CH:18]=1)[O:5][C:6]1[CH:14]=[CH:13][C:9]([C:10]([OH:12])=O)=[CH:8][C:7]=1[Cl:15].N1(O)C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C.C(N(CC)CC)C.[CH3:50][C:51]1([CH3:60])[CH2:56][CH:55]([NH2:57])[CH2:54][C:53]([CH3:59])([CH3:58])[NH:52]1>ClCCl.O>[Br:1][C:2]1[C:3]([C:19]#[N:20])=[C:4]([CH:16]=[CH:17][CH:18]=1)[O:5][C:6]1[CH:14]=[CH:13][C:9]([C:10]([NH:57][CH:55]2[CH2:56][C:51]([CH3:60])([CH3:50])[NH:52][C:53]([CH3:59])([CH3:58])[CH2:54]2)=[O:12])=[CH:8][C:7]=1[Cl:15] | 2 |
C1(=C(C=CC=C1)Br)O[H].CS(=O)(=O)OC1CN(CC1)CC1=CC=C(C=C1)F>[H-].[Na+].CN(C(C)=O)C>BrC1=C(OC2CN(CC2)CC2=CC=C(C=C2)F)C=CC=C1 | 3 |
[OH:1][C@H:2]1[CH2:6][CH2:5][O:4][CH2:3]1.CCN(CC)CC.ClC([O:17][C:18](Cl)(Cl)Cl)=O.[NH2:22][C:23]1[CH:24]=[C:25]([C:32]([F:35])([F:34])[F:33])[CH:26]=[C:27]([N+:29]([O-:31])=[O:30])[CH:28]=1.ClC([O-])=O>C1(C)C=CC=CC=1>[N+:29]([C:27]1[CH:28]=[C:23]([NH:22][C:18](=[O:17])[O:1][C@H:2]2[CH2:6][CH2:5][O:4][CH2:3]2)[CH:24]=[C:25]([C:32]([F:33])([F:34])[F:35])[CH:26]=1)([O-:31])=[O:30] | 1 |
[OH-:1].[Na+].[NH2:3]O.C[O:6][C:7]([C:9]1[CH:17]=[C:16]2[C:12]([CH:13]=[CH:14][N:15]2[CH2:18][CH:19]2[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]2)=[CH:11][CH:10]=1)=O>C1COCC1.CO.O>[OH:1][NH:3][C:7]([C:9]1[CH:17]=[C:16]2[C:12]([CH:13]=[CH:14][N:15]2[CH2:18][CH:19]2[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]2)=[CH:11][CH:10]=1)=[O:6] | 1 |
CSC1=NC=CC(=N1)C(C)=O>>BrCC(=O)C1=NC(=NC=C1)SC | 5 |
[CH3:1][C:2]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)([CH3:9])[CH:3]=[CH:4][C:5]([O:7][CH3:8])=[O:6].[Mg].Cl>CO>[CH3:9][C:2]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)([CH3:1])[CH2:3][CH2:4][C:5]([O:7][CH3:8])=[O:6] | 1 |
[CH3:1][O:2][C:3]1[CH:34]=[C:33]([O:35][CH3:36])[CH:32]=[CH:31][C:4]=1[CH2:5][NH:6][C:7]1[C:8]2[CH:15]=[CH:14][N:13]([C@H:16]3[C@H:23]4[C@H:19]([O:20][C:21]([CH3:25])([CH3:24])[O:22]4)[C@@H:18]([CH2:26][NH:27][CH:28]([CH3:30])[CH3:29])[CH2:17]3)[C:9]=2[N:10]=[CH:11][N:12]=1.ClCCCl.O=[C:42]1[CH2:45][CH:44]([CH2:46][CH2:47][C:48]([O:50][CH2:51][CH3:52])=[O:49])[CH2:43]1.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(Cl)Cl>[CH3:1][O:2][C:3]1[CH:34]=[C:33]([O:35][CH3:36])[CH:32]=[CH:31][C:4]=1[CH2:5][NH:6][C:7]1[C:8]2[CH:15]=[CH:14][N:13]([C@H:16]3[C@@H:23]4[O:22][C:21]([CH3:24])([CH3:25])[O:20][C@@H:19]4[C@@H:18]([CH2:26][N:27]([CH:28]([CH3:30])[CH3:29])[CH:42]4[CH2:45][CH:44]([CH2:46][CH2:47][C:48]([O:50][CH2:51][CH3:52])=[O:49])[CH2:43]4)[CH2:17]3)[C:9]=2[N:10]=[CH:11][N:12]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:26]=[CH:25][C:6]([CH2:7][N:8]2[C:16]3[C:11](=[CH:12][C:13](/[CH:17]=[C:18]4/[C:19](=[O:24])[NH:20][C:21](=[O:23])[S:22]/4)=[CH:14][CH:15]=3)[CH:10]=[N:9]2)=[C:5]([C:27]([F:30])([F:29])[F:28])[CH:4]=1.Br[CH2:32][CH2:33]Cl.[OH:35][C@H:36]1[CH2:40][CH2:39][NH:38][CH2:37]1>>[OH:35][C@H:36]1[CH2:40][CH2:39][N:38]([CH2:32][CH2:33][N:20]2[C:19](=[O:24])/[C:18](=[CH:17]/[C:13]3[CH:12]=[C:11]4[C:16](=[CH:15][CH:14]=3)[N:8]([CH2:7][C:6]3[CH:25]=[CH:26][C:3]([O:2][CH3:1])=[CH:4][C:5]=3[C:27]([F:30])([F:29])[F:28])[N:9]=[CH:10]4)/[S:22][C:21]2=[O:23])[CH2:37]1 | 1 |
Br[C:2]1[C:14]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[C:8]2[C:7]3[C:15]4[C:20]([C:21](Br)=[CH:22][C:6]=3[O:5][C:4]=2[CH:3]=1)=[CH:19][CH:18]=[CH:17][CH:16]=4.C([Sn](CCCC)(CCCC)[C:29]1[O:30][CH:31]=[CH:32][CH:33]=1)CCC.[F-].[K+]>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.CN(C)C=O>[O:5]1[CH:6]=[CH:7][CH:8]=[C:4]1[C:21]1[C:20]2[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=2[C:7]2[C:8]3[C:9]4[C:14]([C:2]([C:31]5[O:30][CH:29]=[CH:33][CH:32]=5)=[CH:3][C:4]=3[O:5][C:6]=2[CH:22]=1)=[CH:13][CH:12]=[CH:11][CH:10]=4 | 2 |
COC=1C=C2C(=NC=NC2=CC1OC)OC1=CC=C(N)C=C1.CC=1C=C(C=CC1)C(=O)N=C=S>C1(=CC=CC=C1)C.CCO[H]>COC=1C=C2C(=NC=NC2=CC1OC)OC1=CC=C(C=C1)NC(=S)NC(C1=CC(=CC=C1)C)=O | 3 |
C(C)(C)(C)OC(=O)N1CC(CC1)=C.BrC=1C(=NC(=CC1C1=C2C(=NC=C1)C=C(S2)CN2C(C1C(C1C2=O)(C)C)=O)C(F)(F)F)C>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C>C(C)(C)(C)OC(=O)N1C/C(/CC1)=C/C=1C(=NC(=CC1C1=C2C(=NC=C1)C=C(S2)CN2C(C1C(C1C2=O)(C)C)=O)C(F)(F)F)C | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]2[C:10]([CH:19]([OH:24])[CH2:20][O:21][CH2:22][CH3:23])=[CH:11][C:12]3[NH:16][CH:15]=[N:14][C:13]=3[C:17]=2[F:18])=[C:4]([Cl:25])[CH:3]=1.C([O-])(O)=O.[Na+].O.O.O.O.O.S([O-])([O-])(=O)=S.[Na+].[Na+]>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]2[C:10]([C:19](=[O:24])[CH2:20][O:21][CH2:22][CH3:23])=[CH:11][C:12]3[NH:16][CH:15]=[N:14][C:13]=3[C:17]=2[F:18])=[C:4]([Cl:25])[CH:3]=1 | 1 |
C1(=CC=CC=C1)C=O.Cl.C(C)N(CCCl)CC>>C(C)N(CC)CCOC1=CC=C(C=O)C=C1 | 5 |
[F:1][C:2]([F:25])([F:24])[C:3]1[CH:8]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:6]=[CH:5][C:4]=1[C:13]1[C:19]([Cl:20])=[CH:18][C:16]([NH2:17])=[C:15]([N+:21]([O-])=O)[CH:14]=1.Cl>C(O)C.[Zn]>[F:24][C:2]([F:1])([F:25])[C:3]1[CH:8]=[C:7]([C:9]([F:10])([F:11])[F:12])[CH:6]=[CH:5][C:4]=1[C:13]1[CH:14]=[C:15]([NH2:21])[C:16]([NH2:17])=[CH:18][C:19]=1[Cl:20] | 1 |
CCN(C(C)C)C(C)C.[C:10]([O:14][C:15]([N:17]1[CH2:22][CH2:21][C@@H:20]([NH:23][C:24]2[C:25]3[N:26]([CH:33]=[C:34]([C:36]([OH:38])=O)[CH:35]=3)[N:27]=[CH:28][C:29]=2[C:30](=[O:32])[NH2:31])[C:19]([CH3:40])([CH3:39])[CH2:18]1)=[O:16])([CH3:13])([CH3:12])[CH3:11].F[P-](F)(F)(F)(F)F.[N:48]1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=[N:49]1.NN>CN(C)C=O.O>[C:30]([C:29]1[CH:28]=[N:27][N:26]2[CH:33]=[C:34]([C:36]([NH:48][NH2:49])=[O:38])[CH:35]=[C:25]2[C:24]=1[NH:23][C@@H:20]1[CH2:21][CH2:22][N:17]([C:15]([O:14][C:10]([CH3:13])([CH3:11])[CH3:12])=[O:16])[CH2:18][C:19]1([CH3:39])[CH3:40])(=[O:32])[NH2:31] | 1 |
C(Cl)CCl.Cl.[O:6]=[C:7]1[NH:13][C:12]2[N:14]=[CH:15][C:16](/[CH:18]=[CH:19]/[C:20]([OH:22])=O)=[CH:17][C:11]=2[CH2:10][O:9][CH2:8]1.C1C=CC2N(O)N=NC=2C=1.[CH3:33][NH:34][C@@H:35]([C:37]1[O:38][C:39]2[CH:46]=[CH:45][CH:44]=[CH:43][C:40]=2[C:41]=1[CH3:42])[CH3:36].C(N(C(C)C)C(C)C)C>CN(C=O)C.O>[CH3:33][N:34]([C@@H:35]([C:37]1[O:38][C:39]2[CH:46]=[CH:45][CH:44]=[CH:43][C:40]=2[C:41]=1[CH3:42])[CH3:36])[C:20](=[O:22])/[CH:19]=[CH:18]/[C:16]1[CH:15]=[N:14][C:12]2[NH:13][C:7](=[O:6])[CH2:8][O:9][CH2:10][C:11]=2[CH:17]=1 | 2 |
C(C)(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(C)=O)NC(C)=O)CC=C)COC(C)=O>O.C[N+]1(CCOCC1)[O-].CC(=O)C.I(=O)(=O)(=O)[O-].[Na+].[Os](=O)(=O)(=O)=O>C(C)(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(C)=O)NC(C)=O)CC=O)COC(C)=O | 3 |
[O:1]([C@H:5]1[CH2:10][CH2:9][C@H:8]([NH2:11])[CH2:7][CH2:6]1)[N+:2]([O-:4])=[O:3].[C:12]1(=[O:17])[O:16][CH2:15][CH2:14][CH2:13]1>>[OH:17][CH2:12][CH2:13][CH2:14][C:15]([NH:11][C@H:8]1[CH2:7][CH2:6][C@H:5]([O:1][N+:2]([O-:4])=[O:3])[CH2:10][CH2:9]1)=[O:16] | 1 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:9]2[S:13][C:12]([C:14]3([OH:18])[CH2:17][CH2:16][CH2:15]3)=[N:11][CH:10]=2)[CH:5]=[C:6]([CH3:8])[CH:7]=1.C(=O)([O-])[O-].[Cs+].[Cs+].Cl[C:26]1[N:31]=[C:30]([O:32][CH:33]2[CH2:36][O:35][CH2:34]2)[CH:29]=[CH:28][N:27]=1.CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O1CCOCC1>[CH3:8][C:6]1[CH:5]=[C:4]([C:9]2[S:13][C:12]([C:14]3([OH:18])[CH2:17][CH2:16][CH2:15]3)=[N:11][CH:10]=2)[CH:3]=[C:2]([NH:1][C:26]2[N:31]=[C:30]([O:32][CH:33]3[CH2:36][O:35][CH2:34]3)[CH:29]=[CH:28][N:27]=2)[CH:7]=1 | 2 |
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)CCC1=O.C(=O)(O)C=1C=C(CNC(OC(C)(C)C)=O)C=CC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)NCC=1C=C(C(=O)ON2C(CCC2=O)=O)C=CC1 | 3 |
[CH:1]1[C:14]2[C:5](=[N:6][C:7]3[C:12]([C:13]=2[NH:15][CH:16]([CH3:25])[CH2:17][CH2:18][CH2:19][N:20]([CH2:23][CH3:24])[CH2:21][CH3:22])=[CH:11][CH:10]=[CH:9][CH:8]=3)[CH:4]=[CH:3][CH:2]=1.Cl[C:27]1C2C(N=C3C=1C=CC=C3)=CC=CC=2.C(N(CC)CCCC(C)(N)C)C.C1(O)C=CC=CC=1.C(N(CC)CC)C>>[CH:11]1[C:12]2[C:7](=[N:6][C:5]3[C:14]([C:13]=2[NH:15][C:16]([CH3:27])([CH3:25])[CH2:17][CH2:18][CH2:19][N:20]([CH2:23][CH3:24])[CH2:21][CH3:22])=[CH:1][CH:2]=[CH:3][CH:4]=3)[CH:8]=[CH:9][CH:10]=1 | 2 |
C(C)OC(C(C(O)C1(CN(CC1)C(=O)OC(C)(C)C)CCC1=CC=CC=C1)(C)C)=O>>OC(C(CO)(C)C)C1(CN(CC1)C(=O)OC(C)(C)C)CCC1=CC=CC=C1 | 5 |
[CH2:1]1[CH2:6][C@H:5]([C:7]([OH:9])=[O:8])[CH2:4][CH2:3][C@H:2]1[CH2:10][NH2:11].[CH3:12][CH:13]([CH3:32])[C:14]([O:16][CH:17]([O:21][C:22](ON1C(=O)CCC1=O)=[O:23])[CH:18]([CH3:20])[CH3:19])=[O:15]>CC(OC)(C)C.CC(C)=O.O>[CH3:12][CH:13]([CH3:32])[C:14]([O:16][CH:17]([O:21][C:22]([NH:11][CH2:10][C@H:2]1[CH2:3][CH2:4][C@H:5]([C:7]([OH:9])=[O:8])[CH2:6][CH2:1]1)=[O:23])[CH:18]([CH3:19])[CH3:20])=[O:15] | 1 |
[NH2:1][C:2]1[C:7]([S:8](Cl)(=[O:10])=[O:9])=[CH:6][C:5]([Br:12])=[CH:4][N:3]=1.[OH-:13].[Na+]>O1CCOCC1>[NH2:1][C:2]1[C:7]([S:8]([OH:13])(=[O:10])=[O:9])=[CH:6][C:5]([Br:12])=[CH:4][N:3]=1 | 1 |
Cl[CH:2]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:3]([C:5]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[NH:7][CH:6]=1)=[O:4].[CH3:20][N:21]([CH3:34])[CH2:22][CH2:23][O:24][C:25]1[CH:26]=[C:27]([CH:29]=[C:30]([O:32][CH3:33])[CH:31]=1)[NH2:28]>C(#N)C>[CH3:34][N:21]([CH3:20])[CH2:22][CH2:23][O:24][C:25]1[CH:26]=[C:27]([NH:28][CH:2]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:3]([C:5]2[C:13]3[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=3)[NH:7][CH:6]=2)=[O:4])[CH:29]=[C:30]([O:32][CH3:33])[CH:31]=1 | 2 |
C[Mg]Cl.C(CCCC)C1C(CCC1)=O>C1(=CC=CC=C1)C.C1CCCO1.C(C)(=O)O>CC1(C(CCC1)CCCCC)O | 3 |
[C:1]1([O:7][CH:8]=[CH2:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH:10]([CH:12]=[CH2:13])=[O:11].C1(C=CC(O)=CC=1)O>>[O:7]([CH:8]1[CH2:9][CH2:13][CH:12]=[CH:10][O:11]1)[C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]([CH3:12])[C:7](=[O:13])[CH:6]=[C:5]2[C:14]([F:17])([F:16])[F:15].N1C=CC=CC=1.[CH3:24][C:25]1[CH:35]=[CH:34][C:28]([CH2:29][CH2:30][N:31]=[C:32]=[S:33])=[CH:27][CH:26]=1>CN1C(=O)CCC1>[CH3:12][N:8]1[C:9]2[C:4](=[CH:3][C:2]([NH:1][C:32]([NH:31][CH2:30][CH2:29][C:28]3[CH:27]=[CH:26][C:25]([CH3:24])=[CH:35][CH:34]=3)=[S:33])=[CH:11][CH:10]=2)[C:5]([C:14]([F:17])([F:15])[F:16])=[CH:6][C:7]1=[O:13] | 1 |
[NH2:1][N:2]=[CH:3][C:4]1[CH:41]=[CH:40][C:7]([CH2:8][CH:9]2[C:13](=[O:14])[N:12]([CH2:15][CH2:16][CH:17]([NH:21][C:22]([O:24][CH2:25][CH:26]3[C:38]4[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=4[C:32]4[C:27]3=[CH:28][CH:29]=[CH:30][CH:31]=4)=[O:23])[C:18]([OH:20])=[O:19])[C:11](=[O:39])[NH:10]2)=[CH:6][CH:5]=1.[ClH:42]>C(O)(=O)C>[ClH:42].[NH2:1][N:2]=[CH:3][C:4]1[CH:5]=[CH:6][C:7]([CH2:8][CH:9]2[C:13](=[O:14])[N:12]([CH2:15][CH2:16][CH:17]([NH:21][C:22]([O:24][CH2:25][CH:26]3[C:27]4[CH:28]=[CH:29][CH:30]=[CH:31][C:32]=4[C:33]4[C:38]3=[CH:37][CH:36]=[CH:35][CH:34]=4)=[O:23])[C:18]([OH:20])=[O:19])[C:11](=[O:39])[NH:10]2)=[CH:40][CH:41]=1 | 1 |
BrCC(C)=O.C(C)(C)(C)OC(=O)N(C1=CC(=NC(=N1)C(N)=S)OC1CN(C1)C(=O)OC(C)(C)C)C1CCC(CC1)(F)F>O.C1CCCO1>C(C)(C)(C)OC(=O)N(C1=CC(=NC(=N1)C=1SC=C(N1)C)OC1CN(C1)C(=O)OC(C)(C)C)C1CCC(CC1)(F)F | 3 |
Cl[CH2:2][CH2:3][CH2:4][O:5][C:6]12[CH:21]=[CH:20][CH:19]=[CH:18][CH:7]1[CH2:8][CH:9]2[C:10]([N:12]1[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]1)=[O:11].[I-].[K+].[N-:24]=[N+:25]=[N-:26].[Na+].OS([O-])=O.[Na+].C([O-])(O)=O.[Na+]>O.CN(C)C=O>[N:24]([CH2:2][CH2:3][CH2:4][O:5][C:6]12[CH:21]=[CH:20][CH:19]=[CH:18][CH:7]1[CH2:8][CH:9]2[C:10]([N:12]1[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]1)=[O:11])=[N+:25]=[N-:26] | 1 |
C(=S)(Cl)Cl.COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C(=C(N)C=C1)C)C.C(C)N(C1=C(C=CC=C1)N)CC>N(C)(C)C=O.CCN(CC)CC>COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C(=C(C=C1)NC(=S)NCCN(CC)CC)C)C | 3 |
N1C(CCC1)=O.ClC1=CC=C(C=N1)OC1=CC2=C(CCN(CC2)C(=O)OC(C)(C)C)C=C1>>O=C1N(CCC1)C1=CC=C(C=N1)OC1=CC2=C(CCN(CC2)C(=O)OC(C)(C)C)C=C1 | 5 |
C(ON=O)(C)(C)C.N[C:9]1[C:16]([Br:17])=[CH:15][C:12]([C:13]#[N:14])=[CH:11][C:10]=1[Br:18]>CN(C)C=O>[Br:17][C:16]1[CH:15]=[C:12]([CH:11]=[C:10]([Br:18])[CH:9]=1)[C:13]#[N:14] | 1 |
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