smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([O:4][C@@H:5]1[O:22][C@H:21]([CH2:23][O:24][C:25](=[O:27])[CH3:26])[C@@H:16]([O:17][C:18](=[O:20])[CH3:19])[C@H:11]([O:12][C:13](=[O:15])[CH3:14])[C@H:6]1[O:7][C:8](=[O:10])[CH3:9])(=O)[CH3:2].[CH3:28][C:29]([CH2:35][CH2:36][CH2:37][CH:38]([CH3:50])[CH2:39][CH2:40][CH2:41][CH:42]([CH3:49])[CH2:43][CH2:44][CH2:45][CH:46]([CH3:48])[CH3:47])=[CH:30][CH2:31]CCO.C(N(CC)CC)C>C(#N)C.C(OCC)(=O)C>[C:8]([O:7][C@@H:6]1[C@@H:11]([O:12][C:13](=[O:15])[CH3:14])[C@H:16]([O:17][C:18](=[O:20])[CH3:19])[C@@H:21]([CH2:23][O:24][C:25](=[O:27])[CH3:26])[O:22][CH:5]1[O:4][CH2:1][CH2:2][CH2:31][CH:30]=[C:29]([CH3:28])[CH2:35][CH2:36][CH2:37][CH:38]([CH3:50])[CH2:39][CH2:40][CH2:41][CH:42]([CH3:49])[CH2:43][CH2:44][CH2:45][CH:46]([CH3:48])[CH3:47])(=[O:10])[CH3:9] | 1 |
ClS(=O)(=O)N=C=O.C(C1=CC=CC=C1)O.NC1=CC2=C(NC(=NS2(=O)=O)C=2C(N([C@H]3[C@@H]4CC[C@H]([C@H]3C2O)C4)CC4=CC=C(C=C4)F)=O)C=C1>>FC1=CC=C(CN2[C@H]3[C@@H]4CC[C@H]([C@H]3C(=C(C2=O)C2=NS(C3=C(N2)C=CC(=C3)NS(=O)(=O)NC(OCC3=CC=CC=C3)=O)(=O)=O)O)C4)C=C1 | 5 |
[C:1]1([C@H:7]([NH2:9])[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH:10][C:11]1[CH:23]=[CH:22][C:14]2[C:15]([CH2:18][C:19]([OH:21])=[O:20])=[CH:16][O:17][C:13]=2[CH:12]=1>CO>[C:1]1([C@H:7]([NH2:9])[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH:10][C:11]1[CH:23]=[CH:22][C:14]2[C@H:15]([CH2:18][C:19]([OH:21])=[O:20])[CH2:16][O:17][C:13]=2[CH:12]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[N:13]([C:14]3[CH:15]=[N:16][C:17](Cl)=[CH:18][CH:19]=3)[N:12]=[C:11]([C:21]([OH:23])=[O:22])[CH:10]=2)[CH:5]=[C:6]([F:8])[CH:7]=1.[NH3:24]>>[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[N:13]([C:14]3[CH:15]=[N:16][C:17]([NH2:24])=[CH:18][CH:19]=3)[N:12]=[C:11]([C:21]([OH:23])=[O:22])[CH:10]=2)[CH:5]=[C:6]([F:8])[CH:7]=1 | 1 |
[Cl:1][CH2:2][C:3](=O)[CH2:4][C:5]([O:7][CH2:8][CH3:9])=[O:6].[C:11](OC(=O)C)(=O)C.C(OC(OCC)OCC)C.[O-]CC.[Na+].[C:32]([CH2:34][C:35]([NH2:37])=[O:36])#[N:33]>CCO>[Cl:1][CH2:2][C:3]1[NH:37][C:35](=[O:36])[C:34]([C:32]#[N:33])=[CH:11][C:4]=1[C:5]([O:7][CH2:8][CH3:9])=[O:6] | 2 |
[Cl:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([C:12]1[CH:17]=[C:16]([F:18])[CH:15]=[C:14]([F:19])[CH:13]=1)[C:8]([CH2:20][NH2:21])=[CH:7]2.Cl[C:23]1[N:31]=[CH:30][N:29]=[C:28]2[C:24]=1[NH:25][CH:26]=[N:27]2.CCN(C(C)C)C(C)C>C(O)CCC>[Cl:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([C:12]1[CH:13]=[C:14]([F:19])[CH:15]=[C:16]([F:18])[CH:17]=1)[C:8]([CH2:20][NH:21][C:23]1[N:31]=[CH:30][N:29]=[C:28]3[C:24]=1[N:25]=[CH:26][NH:27]3)=[CH:7]2 | 1 |
NC=1C=C(C(=NC1)C#N)Cl.C(C)N1C(N(C(C2=CC(=CC=C12)NC(CC(CC(=O)O)C)=O)=O)CC)=O>C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>ClC=1C=C(C=NC1C#N)NC(CC(CC(=O)NC=1C=C2C(N(C(N(C2=CC1)CC)=O)CC)=O)C)=O | 3 |
[Si](C)(C)(C(C)(C)C)O[C@H]([C@H](C=1OC(=NN1)C1=CC(=C(C=C1)F)O[Si](C)(C)C(C)(C)C)NC1=C(C(=C(C#N)C=C1)Cl)C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.[Cl-].[NH4+]>ClC1=C(C#N)C=CC(=C1C)N[C@H]([C@H](C)O)C=1OC(=NN1)C1=CC(=C(C=C1)F)O | 3 |
C(C)(C)OB(OC(C)C)OC(C)C.BrC1=CC=C(C=C1)C=1C=CC=2C3=CC=CC=C3C3=CC=CC1C23>C1CCCO1.C(CCC)[Li].CCCCCC>C1=CC(=C2C=CC=C3C4=CC=CC=C4C1=C23)C2=CC=C(C=C2)B(O)O | 3 |
C1(=CC=CC=C1)C=O.COC1=CC=C(CN(S(=O)(=O)C=2C=CC3=C(OCCN3)C2)C=2SC=CN2)C=C1>O.CO[H].C(=O)(C(F)(F)F)O.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C1=CC=CC=C1)N1C2=C(OCC1)C=C(C=C2)S(=O)(=O)NC=2SC=CN2 | 3 |
Cl.[Cl:2][C:3]1[S:18][C:6]2[C:7]3([CH2:17][CH2:16][NH:15][CH2:14][CH2:13]3)[O:8][CH2:9][C:10]([F:12])([F:11])[C:5]=2[CH:4]=1.[CH3:19][C:20]1[C:21]([N:26]2[CH:30]=[C:29]([CH:31]=O)[C:28]([C:33]([O-])=[O:34])=[N:27]2)=[N:22][CH:23]=[CH:24][CH:25]=1>>[Cl:2][C:3]1[S:18][C:6]2[C:7]3([O:8][CH2:9][C:10]([F:12])([F:11])[C:5]=2[CH:4]=1)[CH2:13][CH2:14][N:15]([CH2:31][C:29]1[C:28]([CH2:33][OH:34])=[N:27][N:26]([C:21]2[C:20]([CH3:19])=[CH:25][CH:24]=[CH:23][N:22]=2)[CH:30]=1)[CH2:16][CH2:17]3 | 1 |
COCCN.COC(=O)C1=C(C2=C(N=CN=C2NC2=C(C=C(C=C2)F)OC2CCOCC2)S1)C>>FC1=CC(=C(C=C1)NC=1C2=C(N=CN1)SC(=C2C)C(=O)NCCOC)OC2CCOCC2 | 5 |
ClC=1C(=NC=C(C1)Cl)C(C(=O)OCC)C(=O)OCC>O.CS(=O)C>ClC=1C(=NC=C(C1)Cl)CC(=O)OCC | 3 |
[Si]([O:8][C:9]1[C:17]([CH2:18]/[CH:19]=[C:20](\[CH3:32])/[CH:21]([CH2:28][CH2:29][CH2:30][Br:31])[CH2:22][C:23]([O:25][CH2:26][CH3:27])=[O:24])=[C:16]([O:33][CH3:34])[C:15]([CH3:35])=[C:14]2[C:10]=1[C:11](=[O:36])[O:12][CH2:13]2)(C(C)(C)C)(C)C.O.O.O.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1COCC1.CCOCC>[OH:8][C:9]1[C:17]([CH2:18]/[CH:19]=[C:20](\[CH3:32])/[CH:21]([CH2:28][CH2:29][CH2:30][Br:31])[CH2:22][C:23]([O:25][CH2:26][CH3:27])=[O:24])=[C:16]([O:33][CH3:34])[C:15]([CH3:35])=[C:14]2[C:10]=1[C:11](=[O:36])[O:12][CH2:13]2 | 1 |
[CH2:1]1[C:4](=[O:5])[N:3]2[C@@H:6]([C:12]([O-:14])=[O:13])/[C:7](/[O:11][C@H:2]12)=[CH:8]/[CH2:9][OH:10].[K+].C(OCC(CO)O)(=O)CCCCCCCCCCCCCCCCCCCCC>>[CH2:1]1[C:4](=[O:5])[N:3]2[C@@H:6]([C:12]([OH:14])=[O:13])/[C:7](/[O:11][C@H:2]12)=[CH:8]/[CH2:9][OH:10] | 1 |
ClC1=CC=C(C=C1)B(O)O.C(C1=CC=CC=C1)N1N=CC(=C(C1=O)OC)Cl>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(=CC=CC=C1)C.C(C)O>C(C1=CC=CC=C1)N1N=CC(=C(C1=O)OC)C1=CC=C(C=C1)Cl | 3 |
[CH2:1]([O:8][CH2:9][CH2:10][N:11]([CH2:37][CH2:38][CH2:39][CH2:40]OS(C)(=O)=O)[C:12]([C:14]1[NH:15][C:16](=[O:36])[C:17]([O:34][CH3:35])=[C:18]2[C:23]=1[CH2:22][CH2:21][N:20]([CH2:24][C:25]1[CH:30]=[CH:29][C:28]([F:31])=[C:27]([Cl:32])[CH:26]=1)[C:19]2=[O:33])=[O:13])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C>[Cl:32][C:27]1[CH:26]=[C:25]([CH:30]=[CH:29][C:28]=1[F:31])[CH2:24][N:20]1[CH2:21][CH2:22][C:23]2[C:18](=[C:17]([O:34][CH3:35])[C:16](=[O:36])[N:15]3[CH2:40][CH2:39][CH2:38][CH2:37][N:11]([CH2:10][CH2:9][O:8][CH2:1][C:2]4[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=4)[C:12](=[O:13])[C:14]3=2)[C:19]1=[O:33] | 1 |
[C:1]([Si:5]([O:8][CH:9]([CH2:14][CH2:15][C:16]1[CH:21]=[CH:20][C:19]([C:22]([CH2:41][CH3:42])([C:25]2[CH:30]=[CH:29][C:28](B3OC(C)(C)C(C)(C)O3)=[C:27]([CH3:40])[CH:26]=2)[CH2:23][CH3:24])=[CH:18][C:17]=1[CH3:43])[C:10]([CH3:13])([CH3:12])[CH3:11])([CH3:7])[CH3:6])([CH3:4])([CH3:3])[CH3:2].[CH2:44]([O:46][C:47](=[O:56])[CH2:48][C:49]1[CH:50]=[CH:51][C:52](Cl)=[N:53][CH:54]=1)[CH3:45].O>CN(C)C=O.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]>[CH2:44]([O:46][C:47](=[O:56])[CH2:48][C:49]1[CH:54]=[N:53][C:52]([C:28]2[CH:29]=[CH:30][C:25]([C:22]([C:19]3[CH:20]=[CH:21][C:16]([CH2:15][CH2:14][CH:9]([O:8][Si:5]([C:1]([CH3:4])([CH3:3])[CH3:2])([CH3:6])[CH3:7])[C:10]([CH3:13])([CH3:12])[CH3:11])=[C:17]([CH3:43])[CH:18]=3)([CH2:23][CH3:24])[CH2:41][CH3:42])=[CH:26][C:27]=2[CH3:40])=[CH:51][CH:50]=1)[CH3:45] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[N:9][CH:10]=1)[N:7]([CH2:11][CH3:12])[C:6](=[O:13])[CH2:5]2.[S:14]1[CH:18]=[CH:17][CH:16]=[C:15]1[C:19](Cl)=[O:20]>CN(C)C1C=CN=CC=1.CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[N:9][CH:10]=1)[N:7]([CH2:11][CH3:12])[C:6](=[O:13])[CH:5]2[C:19](=[O:20])[C:15]1[S:14][CH:18]=[CH:17][CH:16]=1 | 1 |
C(C)OC(=O)C=1C=C2C(C(C(NC2=CC1)C1=CC(=CC(=C1)Cl)Br)(C)C)O>>C(C)OC(=O)C=1C=C2CC(C(NC2=CC1)C1=CC(=CC(=C1)Cl)Br)(C)C | 5 |
C(CCCC)S(=O)(=O)N.ClC=1C(=NC=C(C1)C(F)(F)F)OC1=C(C=CC(=C1)OCCOC)CC(C(=O)O)OC>C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>ClC=1C(=NC=C(C1)C(F)(F)F)OC1=C(C=CC(=C1)OCCOC)CC(C(=O)NS(=O)(=O)CCCCC)OC | 3 |
C(C)(C)(C)OC(NC1=CC=C2C=C(NC2=C1)C1=C(C=CC=C1OC)Cl)=O>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(C(=CC=C1)OC)C=1NC2=CC(=CC=C2C1)N | 3 |
COC=1C=C(C=C(C1)OC)CC(=O)O>CO[H].ClS(Cl)=O>COC(CC1=CC(=CC(=C1)OC)OC)=O | 3 |
COC[C@@H]1NCCC1.ClC1=NC2=CC(=CC(=C2C(=C1C)Cl)F)F>CC#N.CCN(CC)CC>ClC1=C(C(=NC2=CC(=CC(=C12)F)F)N1[C@H](CCC1)COC)C | 3 |
C(C1=CC=CC=C1)Br.C(C=C)C1=C(C2=CC=CC=C2C(=C1)Cl)O>N(C)(C)C=O.C(C)(=O)OCC.[H-].[Na+]>C(C=C)C1=C(C2=CC=CC=C2C(=C1)Cl)OCC1=CC=CC=C1 | 3 |
[Cl:1][C:2]1[C:7]([OH:8])=[CH:6][CH:5]=[CH:4][N:3]=1.C(=O)([O-])[O-].[K+].[K+].[I:15]I>O>[Cl:1][C:2]1[C:7]([OH:8])=[CH:6][CH:5]=[C:4]([I:15])[N:3]=1 | 1 |
ClC1=CC=C(C=N1)C1C(N(C(O1)=O)C(=O)OC(C)(C)C)CC1=CC=C(C=C1)C(F)(F)F>CO[H].[OH-].[Na+].CO>ClC1=CC=C(C=N1)C(C(CC1=CC=C(C=C1)C(F)(F)F)NC(OC(C)(C)C)=O)O | 3 |
COCN(C[Si](C)(C)C)CC1=CC=CC=C1.[Si](C)(C)(C(C)(C)C)OC[C@H](/C=C/C)C>>COC(=O)C1CN(CC1[C@@H](CO[Si](C)(C)C(C)(C)C)C)CC1=CC=CC=C1 | 5 |
C(C)(=O)OCC(=O)N1CC=2C=CC(=NC2CC1)NC1=NC=C(C(=N1)C1=CC2=C(N=C3N2C(CC3)C)C(=C1)F)F>ClCCl.C[O-].[Na+]>FC=1C(=NC(=NC1)NC1=NC=2CCN(CC2C=C1)C(CO)=O)C1=CC2=C(N=C3N2C(CC3)C)C(=C1)F | 3 |
BrCC(=O)C1=CC=C(C=C1)OC>>COC1=CC=C(C=C1)C=1N=COC1 | 5 |
C(C)(C)(C)[Si](C)(C)Cl.OC1=C(C(=O)OC)C=C(C=C1)O>c1cnc[nH]1.ClCCl>OC1=C(C(=O)OC)C=C(C=C1)O[Si](C)(C)C(C)(C)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([C:26]([F:29])([F:28])[F:27])[S:13][C:12]3[CH:14]=[CH:15][C:16](OS(C(F)(F)F)(=O)=O)=[CH:17][C:11]=3[CH2:10]2)[CH:5]=[C:6]([Cl:8])[CH:7]=1.C(=O)([O-])[O-].[K+].[K+].[NH2:36][C:37]1[CH:44]=[C:43](B2OC(C)(C)C(C)(C)O2)[CH:42]=[CH:41][C:38]=1[C:39]#[N:40]>COCCOC.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[NH2:36][C:37]1[CH:44]=[C:43]([C:16]2[CH:15]=[CH:14][C:12]3[S:13][C:9]([C:4]4[CH:3]=[C:2]([Cl:1])[CH:7]=[C:6]([Cl:8])[CH:5]=4)([C:26]([F:28])([F:27])[F:29])[CH2:10][C:11]=3[CH:17]=2)[CH:42]=[CH:41][C:38]=1[C:39]#[N:40] | 2 |
COC(CC(=O)C1CC1)=O>>C1(CC1)C1=NNC(C1)=O | 5 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[C:11]1[C:19]2[C:14](=[N:15][CH:16]=[N:17][C:18]=2[NH2:20])[NH:13][N:12]=1.C([O-])([O-])=O.[K+].[K+].[CH2:27](Br)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.O>CN(C=O)C>[CH2:27]([N:13]1[C:14]2=[N:15][CH:16]=[N:17][C:18]([NH2:20])=[C:19]2[C:11]([C:2]2[CH:3]=[CH:4][C:5]3[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=3)[CH:1]=2)=[N:12]1)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1 | 1 |
C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][C:11]([CH:14]2[CH2:19][NH:18][C:17](=[O:20])[NH:16][CH2:15]2)=[CH:10][C:9]=1Br)(C)(C)C.[C:23]1(B(O)O)[CH2:28][CH2:27][CH2:26][CH2:25][CH:24]=1.C([O-])([O-])=O.[Na+].[Na+]>C(O)(C(F)(F)F)=O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[NH2:7][C:8]1[CH:13]=[CH:12][C:11]([CH:14]2[CH2:15][NH:16][C:17](=[O:20])[NH:18][CH2:19]2)=[CH:10][C:9]=1[C:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH:24]=1 | 1 |
[NH2:1][C:2]1[C:7]([NH2:8])=[CH:6][CH:5]=[CH:4][N:3]=1.[CH2:9]([O:11][C:12](=[O:18])[C:13](=O)[CH:14](Br)[CH3:15])[CH3:10].C(=O)([O-])[O-].[Na+].[Na+]>COCCOC>[NH2:8][C:7]1[C:2]2[N:3]([C:14]([CH3:15])=[C:13]([C:12]([O:11][CH2:9][CH3:10])=[O:18])[N:1]=2)[CH:4]=[CH:5][CH:6]=1 | 1 |
BrC1=C(C=CC=C1)N1C2=C(C=3C=C(C=CC13)C)CN(CC2)C>>C1(=C(C=CC=C1)N1C2=C(C=3C=C(C=CC13)C)CN(CC2)C)C2=CC=CC=C2 | 5 |
[2H]C(CO)(C1=C(C=CC=C1Cl)Cl)[2H]>O.c1ccncc1.[H-].[Na+].Cl[Cu]>ClC1=CC=CC2=C1C(CO2)([2H])[2H] | 3 |
Cl.C(CC)(=N)N.C(#N)C1=C(C=CC=C1)C1=CC=C(C=C1)CC(C(=O)OC)C(CCCC)=O>>C(CCC)C=1N=C(NC(C1CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)=O)CC | 5 |
CS(O[CH:6]([C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=2[C:21]#[N:22])=[CH:11][N:10]=1)[CH2:7][CH3:8])(=O)=O.C(N(CC)CC)C.[NH:30]1[CH:34]=[CH:33][N:32]=[CH:31]1>C(Cl)Cl.O>[N:30]1([CH:6]([C:9]2[N:10]=[CH:11][C:12]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=3[C:21]#[N:22])=[CH:13][CH:14]=2)[CH2:7][CH3:8])[CH:34]=[CH:33][N:32]=[CH:31]1 | 1 |
C(N(CC)CC)C.Cl[C:9]([N:11]([CH:21]=[C:22]=[O:23])[O:12][C:13]1[CH:14]=[N:15][N:16]([CH:18]([CH3:20])[CH3:19])[CH:17]=1)=O.C1([SH:30])C=CC=CC=1.[C:31]1(C)[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>>[C:31]1([C:9]([N:11]([CH:21]=[C:22]=[O:23])[O:12][C:13]2[CH:14]=[N:15][N:16]([CH:18]([CH3:20])[CH3:19])[CH:17]=2)=[S:30])[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1 | 1 |
C(C1=CC=CC=C1)N1[C@@H]2[C@H](CC13CC3)N(CC2(F)F)C(=O)OC(C)(C)C>CCO[H].[HH].[Pd]>FC1(CN([C@@H]2[C@H]1NC1(C2)CC1)C(=O)OC(C)(C)C)F | 3 |
C(=O)(O)[O-].[Na+].C(O)(=O)C.C(O)(=O)C.[OH:14][CH2:15][C@@:16]12[C@@H:36]3[C@H:24]([C@H:25]4[C@:33]([CH3:37])([CH2:34][CH2:35]3)[C@@H:28]([C:29](=[O:32])[CH2:30][OH:31])[CH2:27][CH2:26]4)[CH:23]=[CH:22][C:21]1=[CH:20][C:19](=[O:38])[CH2:18][CH2:17]2>O.CO>[OH:14][CH2:15][C@@:16]12[C@@H:36]3[C@H:24]([C@H:25]4[C@:33]([CH3:37])([CH2:34][CH2:35]3)[C@@H:28]([C:29](=[O:32])[CH2:30][OH:31])[CH2:27][CH2:26]4)[CH:23]=[CH:22][C:21]1=[CH:20][C:19](=[O:38])[CH2:18][CH2:17]2 | 1 |
Br[C:2]1[CH:7]=[C:6]([CH:8]([CH3:10])[CH3:9])[C:5]([O:11][CH2:12][O:13][CH3:14])=[CH:4][C:3]=1[O:15][CH2:16][O:17][CH3:18].O1CCCC1.[Li+].CCC[CH2-].[C:29](=[O:31])=[O:30]>O.CCCCCC>[CH:8]([C:6]1[C:5]([O:11][CH2:12][O:13][CH3:14])=[CH:4][C:3]([O:15][CH2:16][O:17][CH3:18])=[C:2]([CH:7]=1)[C:29]([OH:31])=[O:30])([CH3:10])[CH3:9] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:8]2[N:13]=[C:12]([C:14]([OH:16])=O)[CH:11]=[CH:10][CH:9]=2)[CH:5]=[CH:6][CH:7]=1.[NH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>>[C:18]1([NH:17][C:14]([C:12]2[CH:11]=[CH:10][CH:9]=[C:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=3)[N:13]=2)=[O:16])[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 1 |
BrCC(=O)OCC.CC1=CC(=C(C(N1)=S)C#N)C(F)(F)F>>NC1=C(SC2=NC(=CC(=C21)C(F)(F)F)C)C(=O)OCC | 5 |
Br[C:2]1[N:3]([C:13]2[N:14]=[C:15]([I:21])[N:16]=[C:17]([NH2:20])[C:18]=2[N:19]=1)[C@@H:4]1[O:12][C@H:9]([CH2:10][OH:11])[C@@H:7]([OH:8])[C@H:5]1[OH:6].[CH2:22]([NH2:24])[CH3:23].CO>C(Cl)Cl>[I:21][C:15]1[N:16]=[C:17]([NH2:20])[C:18]2[N:19]=[C:2]([NH:24][CH2:22][CH3:23])[N:3]([C:13]=2[N:14]=1)[C@@H:4]1[O:12][C@H:9]([CH2:10][OH:11])[C@@H:7]([OH:8])[C@H:5]1[OH:6] | 1 |
FC1=CC=C(CN2C3=C(C=4C=CC=CC24)CC2N(C3)C(N(C2=O)CCCC(=O)OC)=O)C=C1>O.C1CCCO1.CO[H].O[Li].O>FC1=CC=C(CN2C3=C(C=4C=CC=CC24)CC2N(C3)C(N(C2=O)CCCC(=O)O)=O)C=C1 | 3 |
C([NH:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11][CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:7][CH:6]=1)(=O)C.[ClH:18]>C(O)C>[ClH:18].[NH2:4][C:5]1[CH:6]=[CH:7][C:8]([CH2:11][CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:9][CH:10]=1 | 2 |
[Cl:1][C:2]1[C:3]([CH3:9])=[C:4]([CH:6]=[CH:7][CH:8]=1)N.N(OCCC(C)C)=O.[CH:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>CCCCCCC>[Cl:1][C:2]1[C:3]([CH3:9])=[C:4]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH:6]=[CH:7][CH:8]=1 | 1 |
C(C)OC(=O)C=1C=NC2=CC(=CC=C2C1N=[N+]=[N-])Cl>[OH-].[Na+]>N(=[N+]=[N-])C1=C(C=NC2=CC(=CC=C12)Cl)C(=O)O | 3 |
[C:1]([O-])([O-])=O.[K+].[K+].[C:7]1([OH:13])[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.C1O[CH2:30][CH2:29]OCCOCCOCCOCCOC1.C(OC([N:39]1[C:48]2[C:43](=[CH:44][CH:45]=[C:46]([C:49]3[S:50][C:51](CCCI)=[C:52]([C:54]([O:56][CH2:57][CH3:58])=[O:55])[N:53]=3)[CH:47]=2)[CH2:42][CH2:41][CH2:40]1)=O)(C)(C)C.[H-].[Na+]>CN(C=O)C.CCOC(C)=O>[O:13]([CH2:1][CH2:29][CH2:30][SH:50]1[CH:51]=[C:52]([C:54]([O:56][CH2:57][CH3:58])=[O:55])[N:53]=[C:49]1[C:46]1[CH:47]=[C:48]2[C:43]([CH2:42][CH2:41][CH2:40][NH:39]2)=[CH:44][CH:45]=1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1 | 2 |
BrC=1C(NC2=CC=CC=C2C1)=O.C(C)N1C2=C(N(C(C(C1=O)(C)C)=O)C)C=C(C=C2)OCCCI>>BrC=1C(N(C2=CC=CC=C2C1)CCCOC1=CC2=C(N(C(C(C(N2C)=O)(C)C)=O)CC)C=C1)=O | 5 |
CC(CO)(CC)C.C(=O)(OC(C)(C)C)N[C@@H](C)C(=O)O>CC#N.C1(=CC=NC=C1)N(C)C.CCN=C=NCCCN(C)C>NC1=NC=NN2C1=CC=C2[C@H]2[C@@H]([C@@H]([C@@](O2)(CF)COP(=O)(OC2=CC=CC=C2)N[C@@H](C)C(=O)OCC(CC)(C)C)O)O | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:12]([F:15])([F:14])[F:13])[C:5]([Cl:11])=[CH:6][C:7]=1[N+:8]([O-])=O.Cl[Sn]Cl>C(O)C>[NH2:1][C:2]1[CH:3]=[C:4]([C:12]([F:15])([F:13])[F:14])[C:5]([Cl:11])=[CH:6][C:7]=1[NH2:8] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(=O)O.CC1(OB2C=3C(C=COCC13)=CC(O2)CN)C>ClCCl.CCN(CC)CC.C(C)(=O)OCC>CC1(OB2C=3C(C=COCC13)=CC(O2)CNC(OC(C)(C)C)=O)C | 3 |
FC(C1=NC2=C3C(=CC=C2C(=C1)C(F)(F)F)NC(=C3)C(=O)OCC)(F)F>CCO[H].O.C1(=CC=C(C=C1)S(=O)(=O)O)C.NN>FC(C1=NC2=C3C(=CC=C2C(=C1)C(F)(F)F)NC(=C3)C=3OC=NN3)(F)F | 3 |
[C:1]([O:5][CH3:6])(=[O:4])[CH:2]=[CH2:3].[C:7]([O:11][CH3:12])(=[O:10])[CH2:8][SH:9].N1CCCCC1>>[CH3:6][O:5][C:1](=[O:4])[CH2:2][CH2:3][S:9][CH2:8][C:7]([O:11][CH3:12])=[O:10] | 1 |
C(#N)CC(=O)OCC.BrC=1C=CC(=NC1)OC>CC(C)(C)[O-].[K+].[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(=O)OCC.O1CCOCC1.C(C)(=O)O.C1(=CC=CC=C1)[C-]1C(=C(C(=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[Fe+2]>C(C)OC(C(C=1C=NC(=CC1)OC)C#N)=O | 3 |
S(=O)(=O)(N)N.ClC1=NC(=NC=C1F)OCC1=CC(=CC=C1)OC>N(C)(C)C=O.[H-].[Na+]>FC=1C(=NC(=NC1)OCC1=CC(=CC=C1)OC)NS(=O)(=O)N | 3 |
FC1=C(C(=CC(=C1)OC)F)N1C=NC(=C1N1CCC(CC1)C)C>>ClC1=NC(=C(N1C1=C(C=C(C=C1F)OC)F)N1CCC(CC1)C)C | 5 |
Cl.Cl.[NH2:3][CH:4]1[CH:9]2[CH2:10][CH2:11][N:6]([CH2:7][CH2:8]2)[CH2:5]1.[C:12](O)(=[O:23])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH:21]=[CH2:22].C(N(C(C)C)CC)(C)C>CN(C=O)C>[N:6]12[CH2:11][CH2:10][CH:9]([CH2:8][CH2:7]1)[CH:4]([NH:3][C:12](=[O:23])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH:21]=[CH2:22])[CH2:5]2 | 1 |
FC1=C(OCCO[Si](C(C)C)(C(C)C)C(C)C)C=C(C=C1)F>>FC1=C(OCCO)C=C(C=C1)F | 5 |
Cl[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10](=[O:26])/[CH:11]=[CH:12]/[C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([C:19]3[CH:24]=[CH:23][C:22]([CH3:25])=[CH:21][CH:20]=3)[CH:14]=2)=[CH:5][CH:4]=1.[CH2:27]1[O:42][C:41]2[CH:40]=[CH:39][C:31]([CH2:32][N:33]3[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]3)=[CH:30][C:29]=2[O:28]1.C(=O)([O-])[O-].[K+].[K+].O>CN(C=O)C>[CH2:27]1[O:42][C:41]2[CH:40]=[CH:39][C:31]([CH2:32][N:33]3[CH2:38][CH2:37][N:36]([CH2:2][C:3]4[CH:8]=[CH:7][C:6]([NH:9][C:10](=[O:26])/[CH:11]=[CH:12]/[C:13]5[CH:18]=[CH:17][CH:16]=[C:15]([C:19]6[CH:24]=[CH:23][C:22]([CH3:25])=[CH:21][CH:20]=6)[CH:14]=5)=[CH:5][CH:4]=4)[CH2:35][CH2:34]3)=[CH:30][C:29]=2[O:28]1 | 1 |
[C:1]([O-:4])([O-])=O.[K+].[K+].[CH2:7]([O:9][C:10](=[O:23])[C:11]1[CH:16]=[C:15](I)[C:14]([O:18][CH2:19][CH2:20][OH:21])=[C:13](Br)[CH:12]=1)[CH3:8].[CH3:24][O:25][C:26]1[CH:31]=[CH:30][C:29](B(O)O)=[CH:28][CH:27]=1.C(Cl)Cl.B(O)O>Cl[Pd]Cl.O1CCOCC1>[CH2:7]([O:9][C:10](=[O:23])[C:11]1[CH:16]=[C:15]([C:29]2[CH:30]=[CH:31][C:26]([O:25][CH3:24])=[CH:27][CH:28]=2)[C:14]([O:18][CH2:19][CH2:20][OH:21])=[C:13]([C:11]2[CH:16]=[CH:15][C:14]([O:4][CH3:1])=[CH:13][CH:12]=2)[CH:12]=1)[CH3:8] | 2 |
BrC=1C=C2C(=NC1)N(N=C2)C(=O)OC(C)(C)C>O.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>CC1(OB(OC1(C)C)C=1C=C2C(=NC1)NN=C2)C.CC1(OB(OC1(C)C)C=1C=C2C(=NC1)N(N=C2)C(=O)OC(C)(C)C)C | 3 |
[CH:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[CH:8][C:7]([C:13]([NH2:15])=[O:14])=[C:6]2[O:16][CH3:17])=O.[C:18]1([C@@H:24]2[CH2:26][C@H:25]2[NH:27][C:28]2[S:29][CH2:30][C:31](=[O:33])[N:32]=2)[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>>[CH3:17][O:16][C:6]1[C:5]2[C:10](=[CH:11][CH:12]=[C:3]([CH:1]=[S:29]3[C:28]([NH:27][C@@H:25]4[CH2:26][C@H:24]4[C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=4)=[N:32][C:31](=[O:33])[CH2:30]3)[CH:4]=2)[N:9]=[CH:8][C:7]=1[C:13]([NH2:15])=[O:14] | 2 |
Br[C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[OH:9].[S:10]1[CH:14]=[CH:13][CH:12]=[C:11]1B(O)O.C(=O)([O-])[O-].[Na+].[Na+]>O1CCOCC1.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>[S:10]1[CH:14]=[CH:13][CH:12]=[C:11]1[C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[OH:9] | 1 |
[CH3:1][C:2]1([CH3:39])[C:11]2[C:6](=[CH:7][C:8]([NH:12][C:13](=[O:31])[C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=3[NH:20][CH:21]([C:23]3[CH:28]=[CH:27][N:26]=[C:25]([NH:29][CH3:30])[N:24]=3)[CH3:22])=[CH:9][CH:10]=2)[CH2:5][N:4](C(OC(C)(C)C)=O)[CH2:3]1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:39][C:2]1([CH3:1])[C:11]2[C:6](=[CH:7][C:8]([NH:12][C:13](=[O:31])[C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=3[NH:20][CH:21]([C:23]3[CH:28]=[CH:27][N:26]=[C:25]([NH:29][CH3:30])[N:24]=3)[CH3:22])=[CH:9][CH:10]=2)[CH2:5][NH:4][CH2:3]1 | 1 |
[OH:1][CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7][OH:8].C[Si](Cl)(C)C.[C:14]1([C:20]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[S:21]Cl)[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>N1C=CC=CC=1>[OH:1][CH2:2][CH2:3][N:4]([S:21][C:20]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=1)[C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)[CH2:5][CH2:6][CH2:7][OH:8] | 1 |
C(C)(C)(C)O[C@H](C(=O)OCC)C1=C(C2=CC=CC=C2C=C1C=O)C1=CC=C(C=C1)Cl>C1CCCO1.CO[H].[Na+].[BH4-]>C(C)(C)(C)O[C@H](C(=O)OCC)C1=C(C2=CC=CC=C2C=C1CO)C1=CC=C(C=C1)Cl | 3 |
BrC1=NN(C(=N1)C=1N=C2N(C=CC(=N2)C(=O)OC)C1)CC1=CC=C(C=C1)OC>CC#N.C(=O)(C(F)(F)F)O.IN1C(CCC1=O)=O>BrC1=NN(C(=N1)C=1N=C2N(C=CC(=N2)C(=O)OC)C1I)CC1=CC=C(C=C1)OC | 3 |
Br[CH:2]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[C:3]([C:5]1[CH:14]=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[CH:7][CH:6]=1)=O.[NH2:21][C:22]1[S:23][CH:24]=[CH:25][N:26]=1>CN(C=O)C>[C:15]1([C:2]2[N:26]3[C:22]([S:23][CH:24]=[CH:25]3)=[N:21][C:3]=2[C:5]2[CH:14]=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[CH:7][CH:6]=2)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
COCCOC1=CC=2N(C=C1)C(=CN2)C(=O)O.COC1=NN(C=2C=CC=C(C12)N)CC=1C=NC(=CC1)C>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl.C(C)(C)N(C(C)C)CC.O.ClCCl>COC1=NN(C2=CC=CC(=C12)NC(=O)C1=CN=C2N1C=CC(=C2)OCCOC)CC=2C=NC(=CC2)C | 3 |
NCC1CCN(CC1)CC1(CCOCC1)O.ClC1=C2C=C(C(N(C2=CC=C1)C(C)C)=O)C(=O)O>>ClC1=C2C=C(C(N(C2=CC=C1)C(C)C)=O)C(=O)NCC1CCN(CC1)CC1(CCOCC1)O | 5 |
Cl[C:2]1[N:7]=[C:6]([CH3:8])[N:5]=[C:4]([NH2:9])[CH:3]=1.[Cl:10][C:11]1[CH:12]=[C:13](B(O)O)[C:14]([F:17])=[N:15][CH:16]=1.C([O-])(=O)C.[K+].C([O-])([O-])=O.[Na+].[Na+]>O1CCOCC1.CCO.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[Cl:10][C:11]1[CH:12]=[C:13]([C:2]2[N:7]=[C:6]([CH3:8])[N:5]=[C:4]([NH2:9])[CH:3]=2)[C:14]([F:17])=[N:15][CH:16]=1 | 1 |
FC(C=1C=CC(=NC1)C1=CC(NC=C1)=O)(F)F.BrC1=CC2=C(C=C1)C=1CN(CCCC1O2)C(=O)OC(C)(C)C>[Cu]I.C1(=CC=CC=C1)C.C(=O)([O-])[O-].[Cs+].[Cs+].CN[C@H]1[C@@H](CCCC1)NC>O=C1N(C=CC(=C1)C1=NC=C(C=C1)C(F)(F)F)C1=CC2=C(C=C1)C=1CN(CCCC1O2)C(=O)OC(C)(C)C | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[C:4]([F:9])[CH:3]=1.CC([O-])(C)C.[K+].Cl[C:17]1[CH:22]=[CH:21][N:20]=[C:19]2[CH:23]=[C:24]([C:26]3[N:27]=[CH:28][N:29]([CH2:31][CH2:32][N:33]4[CH2:38][CH2:37][N:36]([C:39]([O:41][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:40])[CH2:35][CH2:34]4)[CH:30]=3)[S:25][C:18]=12.Cl.NC1C=CC(O)=C(F)C=1.C1([O-])C=CC=CC=1>CN1C(=O)CCC1>[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:17]2[CH:22]=[CH:21][N:20]=[C:19]3[CH:23]=[C:24]([C:26]4[N:27]=[CH:28][N:29]([CH2:31][CH2:32][N:33]5[CH2:34][CH2:35][N:36]([C:39]([O:41][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:40])[CH2:37][CH2:38]5)[CH:30]=4)[S:25][C:18]=23)=[C:4]([F:9])[CH:3]=1 | 1 |
FC1(CCC(CC1)(C(=O)N)N1C=NC(=C1)C)F>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC1(CCC(CC1)(N1C=NC(=C1)C)CN)F | 3 |
COCCN1C[C@H]([C@@H](C1)C1=CN=CO1)C(=O)OCC>C1CCCO1.CO[H].[OH-].[Li+]>COCCN1C[C@H]([C@@H](C1)C1=CN=CO1)C(=O)[O-].[Li+] | 3 |
[CH3:1][C:2]1[S:10][C:9]2[CH:8]([OH:11])[CH2:7][NH:6][CH2:5][C:4]=2[CH:3]=1.[C:12]([C:14]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[C:17](F)=[CH:16][CH:15]=1)#[N:13]>>[C:12]([C:14]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[C:17]([O:11][CH:8]2[CH2:7][NH:6][CH2:5][C:4]3[CH:3]=[C:2]([CH3:1])[S:10][C:9]2=3)=[CH:16][CH:15]=1)#[N:13] | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:15]2[CH:39]=[C:38]([S:40][CH3:41])[CH:37]=[CH:36][C:16]=2[C:17]([NH:19][C:20]2[CH:35]=[CH:34][CH:33]=[CH:32][C:21]=2[C:22]([NH:24][C:25]2[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][N:26]=2)=[O:23])=[O:18])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C12(CS(O)(=O)=O)C(C)(C)C(CC1)CC2=[O:44].C(OO)(C)(C)C>C(Cl)(Cl)Cl>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][CH:11]([O:14][C:15]2[CH:39]=[C:38]([S:40]([CH3:41])=[O:44])[CH:37]=[CH:36][C:16]=2[C:17]([NH:19][C:20]2[CH:35]=[CH:34][CH:33]=[CH:32][C:21]=2[C:22]([NH:24][C:25]2[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][N:26]=2)=[O:23])=[O:18])[CH2:12][CH2:13]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
Cl[CH2:2][C:3]([CH3:5])=[CH2:4].[CH3:6][C:7]1[CH:12]=[CH:11][C:10]([S:13]([NH:16][CH2:17][CH:18]=[CH2:19])(=[O:15])=[O:14])=[CH:9][CH:8]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH3:6][C:7]1[CH:12]=[CH:11][C:10]([S:13]([N:16]([CH2:4][C:3]([CH3:5])=[CH2:2])[CH2:17][CH:18]=[CH2:19])(=[O:15])=[O:14])=[CH:9][CH:8]=1 | 1 |
N[C@@H](C(C)C)C(=O)O.C(C)OC(CC(=O)C)=O>>[K+].C(C)OC(C=C(C)N[C@@H](C(C)C)C(=O)[O-])=O | 5 |
[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[CH3:11][O:12][C:13]1[CH:18]=[CH:17][C:16]([N:19]2[CH2:24][CH:23]3[CH2:25][CH2:26][CH:20]2[CH2:21][C:22]3=[O:27])=[CH:15][CH:14]=1.I[CH3:29]>O1CCCC1>[CH3:11][O:12][C:13]1[CH:14]=[CH:15][C:16]([N:19]2[CH2:24][CH:23]3[CH2:25][CH2:26][CH:20]2[CH:21]([CH3:29])[C:22]3=[O:27])=[CH:17][CH:18]=1 | 1 |
Br[C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[N:8]([S:21]([C:24]3[CH:30]=[CH:29][C:27]([CH3:28])=[CH:26][CH:25]=3)(=[O:23])=[O:22])[C:9]([C:11]3[CH:16]=[CH:15][C:14]([C:17]([OH:20])([CH3:19])[CH3:18])=[CH:13][CH:12]=3)=[CH:10][C:3]=12.[C:31]([C:33]1[CH:51]=[C:50](B2OC(C)(C)C(C)(C)O2)[CH:49]=[CH:48][C:34]=1[O:35][C@@H:36]1[CH2:40][CH2:39][N:38]([C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[CH2:37]1)#[N:32].C([O-])([O-])=O.[Na+].[Na+].C([O-])(O)=O.[Na+].[O-]S([O-])(=O)=O.[Mg+2]>O1CCOCC1.C(Cl)Cl.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:31]([C:33]1[CH:51]=[C:50]([C:2]2[CH:7]=[CH:6][N:5]=[C:4]3[N:8]([S:21]([C:24]4[CH:25]=[CH:26][C:27]([CH3:28])=[CH:29][CH:30]=4)(=[O:22])=[O:23])[C:9]([C:11]4[CH:16]=[CH:15][C:14]([C:17]([OH:20])([CH3:18])[CH3:19])=[CH:13][CH:12]=4)=[CH:10][C:3]=23)[CH:49]=[CH:48][C:34]=1[O:35][C@@H:36]1[CH2:40][CH2:39][N:38]([C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[CH2:37]1)#[N:32] | 2 |
OC1=C(C=C(C=C1)CCC(=O)OC)C1=CC2=CC=CC=C2C=C1>c1ccncc1.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>C1=C(C=CC2=CC=CC=C12)C=1C=C(C=CC1S(=O)(=O)C(F)(F)F)CCC(=O)OC | 3 |
[Cl-].C[N+]1=CN(C=C1)CC1N(CCC1)C1=CC=C(C=C1)[N+](=O)[O-]>>Cl.[Cl-].NC1=CC=C(C=C1)N1C(CCC1)CN1C=[N+](C=C1)C | 5 |
FC=1C=C2CC(NC2=CC1)=O.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C1CCOC1.C(C)C1OC(C2=CC=C(C=C12)OCCN1CCOCC1)=O>>C(C)C1OC(C2=CC=C(C=C12)OCCN1CCOCC1)=C1C(NC2=CC=C(C=C12)F)=O | 5 |
C1(=CC=CC=C1)N1N=C2C(=C1NC(OC1=CC=CC=C1)=O)CCC2.Cl.N[C@@H]1CN(C[C@H]1C1=CC=CC=C1)CC#N>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>C(#N)CN1C[C@H]([C@@H](C1)C1=CC=CC=C1)NC(=O)NC1=C2C(=NN1C1=CC=CC=C1)CCC2 | 3 |
O(C1=CC=CC=C1)C1=CC=C(C=C1)B(O)O.ClC1=C(C#N)C(=CN=C1)Cl>>ClC1=C(C#N)C(=CN=C1)C1=CC=C(C=C1)OC1=CC=CC=C1 | 5 |
[CH3:1][C:2]1[O:6][C:5]([CH:7]=[CH:8][C:9]([O:11][CH2:12]C)=[O:10])=[CH:4][CH:3]=1>CO.[Pd]>[CH3:1][C:2]1[O:6][C:5]([CH2:7][CH2:8][C:9]([O:11][CH3:12])=[O:10])=[CH:4][CH:3]=1 | 1 |
ClC1=C(C=C(C(=C1)NC1CCN(CC1)C1CCOCC1)N)C(F)(F)F>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>ClC=1C(=CC2=C(N(C(N2)=O)C2CCN(CC2)C2CCOCC2)C1)C(F)(F)F | 3 |
N(=C=S)C=1C=C(C(=O)OC)C=CC1.NC1=CC(=C(C#N)C=C1NC(C)C)C(F)(F)F>C1CCCO1.Cl.CN(CCCN=C=NCC)C>C(#N)C=1C(=CC2=C(N(C(=N2)NC=2C=C(C(=O)OC)C=CC2)C(C)C)C1)C(F)(F)F | 3 |
C(O[C:6](=O)[N:7]([C@@H:9]([CH3:46])[C:10]([NH:12][C@@H:13]([CH:40]1[CH2:45][CH2:44][CH2:43][CH2:42][CH2:41]1)[C:14]([N:16]1[C@H:21]([C:22](=[O:36])[NH:23][C@H:24]2[C:33]3[C:28](=[CH:29][C:30]([F:35])=[CH:31][C:32]=3[F:34])[O:27][CH2:26][CH2:25]2)[CH2:20][N:19]2[CH2:37][CH2:38][CH2:39][C@@H:18]2[CH2:17]1)=[O:15])=[O:11])C)(C)(C)C.C(OCC)(=O)C.[ClH:54]>C(OCC)(=O)C>[ClH:54].[ClH:54].[CH:40]1([C@H:13]([NH:12][C:10](=[O:11])[C@H:9]([CH3:46])[NH:7][CH3:6])[C:14]([N:16]2[C@H:21]([C:22]([NH:23][C@H:24]3[C:33]4[C:28](=[CH:29][C:30]([F:35])=[CH:31][C:32]=4[F:34])[O:27][CH2:26][CH2:25]3)=[O:36])[CH2:20][N:19]3[CH2:37][CH2:38][CH2:39][C@@H:18]3[CH2:17]2)=[O:15])[CH2:45][CH2:44][CH2:43][CH2:42][CH2:41]1 | 2 |
COC1=CC=C(CO)C=C1>O.[O].O[Li].O>COC1=CC=C(C(=O)O)C=C1 | 3 |
[OH:1][C:2]([C:4]([F:7])([F:6])[F:5])=[O:3].[CH:8]1([NH:11][C:12]2[N:13]=[C:14]3[CH2:36][CH2:35][NH:34][CH:33]([CH3:37])[C:15]3=[N:16][C:17]=2[N:18]2[CH2:23][CH2:22][CH:21]([O:24][C:25]3[CH:30]=[CH:29][C:28]([F:31])=[CH:27][C:26]=3[F:32])[CH2:20][CH2:19]2)[CH2:10][CH2:9]1.C=O.CCN(C(C)C)C(C)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(Cl)Cl>[CH:8]1([NH:11][C:12]2[N:13]=[C:14]3[CH2:36][CH2:35][N:34]([CH3:2])[CH:33]([CH3:37])[C:15]3=[N:16][C:17]=2[N:18]2[CH2:19][CH2:20][CH:21]([O:24][C:25]3[CH:30]=[CH:29][C:28]([F:31])=[CH:27][C:26]=3[F:32])[CH2:22][CH2:23]2)[CH2:10][CH2:9]1.[C:2]([OH:3])([C:4]([F:7])([F:6])[F:5])=[O:1] | 1 |
C([O:3][C:4](=[O:21])[CH:5]([CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[CH2:6][S:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=1)C>Cl>[CH2:14]([CH:5]([CH2:6][S:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=1)[C:4]([OH:21])=[O:3])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
ClC1=C(N=C2N1C=C(C=C2C(F)(F)F)B2OC(C(O2)(C)C)(C)C)C(=O)OC>>ClC1=C(N=C2N1C=C(C=C2C(F)(F)F)N2C=NC=C2)C(=O)OC | 5 |
C(CCC)C1(C(C2=CC=C(C=C2CC1)OC)=O)CCC(C)=O>>C(CCC)C12CCC3=CC(=CC=C3C2=CC(CC1)=O)OC | 5 |
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