smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Br:1][C:2]1[CH:7]=[C:6]([CH3:8])O[C:4](=O)[CH:3]=1.O[C:11]1[CH:16]=[C:15](C)O[C:13](=O)[CH:12]=1.P(Br)(Br)Br.FC(F)(F)C(O)=O.C(ON=O)CC(C)C.C(O)(=O)C1C(=CC=CC=1)N>COCCOC.CCCCCC.C(OC(=O)C)C>[Br:1][C:2]1[CH:7]=[C:6]([CH3:8])[C:13]2[C:4]([CH:3]=1)=[CH:15][CH:16]=[CH:11][CH:12]=2 | 1 |
[N+](=O)([O-])C1=CC=C(C(=O)Cl)C=C1.C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCCO>ClCCl.CCN(CC)CC>[N+](=O)([O-])C1=CC=C(C(=O)OCCNC(=O)OCC2C3=CC=CC=C3C=3C=CC=CC23)C=C1 | 3 |
[N+:1]([C:4]1[CH:5]=[N:6][C:7]([NH2:10])=[N:8][CH:9]=1)([O-:3])=[O:2].Br[C:12]1[CH:17]=[CH:16][C:15]([CH2:18][CH2:19][CH2:20][N:21]2[CH2:25][CH2:24][CH2:23][CH2:22]2)=[CH:14][CH:13]=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-])[O-].[Cs+].[Cs+]>O1CCOCC1>[N+:1]([C:4]1[CH:5]=[N:6][C:7]([NH:10][C:12]2[CH:13]=[CH:14][C:15]([CH2:18][CH2:19][CH2:20][N:21]3[CH2:25][CH2:24][CH2:23][CH2:22]3)=[CH:16][CH:17]=2)=[N:8][CH:9]=1)([O-:3])=[O:2] | 1 |
FC1=C(C=O)C=CC(=C1)N(CC#C)C1CCC2=C1C=C1C(N(C(=NC1=C2)C)COC(C(C)(C)C)=O)=O>C(C)(=O)O.C(C)(=O)[O-].[Na+].CC(C)(C)O.S(N)(O)(=O)=O.Cl(=O)[O-].[Na+]>FC1=C(C(=O)O)C=CC(=C1)N(CC#C)C1CCC2=C1C=C1C(N(C(=NC1=C2)C)COC(C(C)(C)C)=O)=O | 3 |
FC1=C(C(=O)NC)C=CC(=C1)CO>C1CCCO1.ClS(Cl)=O.C(O)([O-])=O.[Na+]>ClCC1=CC(=C(C(=O)NC)C=C1)F | 3 |
ClS(=O)(=O)N=C=O.OCC(C1=C(C=CC=C1)C(F)(F)F)NC(OC(C)(C)C)=O>>Cl.C(N)(OCC(C1=C(C=CC=C1)C(F)(F)F)N)=O | 5 |
ClCC=1C=NC=C(C#N)C1>CO[H].N>NCC=1C=NC=C(C#N)C1 | 3 |
Cl.[F:2][C:3]1[C:13]([F:14])=[C:7]([C:8]([O:10]CC)=O)[C:6]([NH2:15])=[CH:5][CH:4]=1.[C:16]([C:18]([O:20][CH2:21][CH3:22])=[O:19])#[N:17]>Cl.C(O)(=O)C>[F:14][C:13]1[C:3]([F:2])=[CH:4][CH:5]=[C:6]2[C:7]=1[C:8](=[O:10])[NH:17][C:16]([C:18]([O:20][CH2:21][CH3:22])=[O:19])=[N:15]2 | 1 |
[C:1]1([C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][N:8]1[C:12]([CH3:13])=[CH:11][C:10]([NH:14][C:15]([C:17]2[CH:18]=[C:19]3[C:24](=[CH:25][CH:26]=2)[CH2:23][N:22](C(OC(C)(C)C)=O)[CH2:21][CH2:20]3)=[O:16])=[N:9]1.[ClH:40]>CCOC(C)=O>[ClH:40].[C:1]1([C:34]2[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][N:8]1[C:12]([CH3:13])=[CH:11][C:10]([NH:14][C:15]([C:17]2[CH:18]=[C:19]3[C:24](=[CH:25][CH:26]=2)[CH2:23][NH:22][CH2:21][CH2:20]3)=[O:16])=[N:9]1 | 2 |
CC1=C(C=CC=C1)O.C(C(C)=C)Cl>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CC1=C(C=CC=C1)OCC(=C)C | 3 |
C1(CC1)CN(C1=C(C=C(C=N1)[C@@H](CC(=O)OCC)C)[N+](=O)[O-])C1CCOCC1>O.CCO[H].[Zn].[Cl-].[NH4+]>NC=1C=C(C=NC1N(C1CCOCC1)CC1CC1)[C@@H](CC(=O)OCC)C | 3 |
CN.CO.ClC1=C(C=CC=C1)N1N=C(C=C1SC1=NC(=CC=C1)C)C=O>C1CCCO1.CO[H].[Na+].[BH4-]>ClC1=C(C=CC=C1)N1N=C(C=C1SC1=NC(=CC=C1)C)CNC | 3 |
O=C1CCNC2=C(N1)N=CC(=C2)/C=C/C(=O)OC(C)(C)C>>Cl.O=C1CCNC2=C(N1)N=CC(=C2)/C=C/C(=O)O | 5 |
C(C=C)(=O)Cl.CN1CCC(=CC1)C=1N=C(C2=CC=C(C=C2C1)NC)N1C[C@@H](CC1)NC(OC(C)(C)C)=O>>CN1CCC(=CC1)C=1N=C(C2=CC=C(C=C2C1)N(C(C=C)=O)C)N1C[C@@H](CC1)NC(OC(C)(C)C)=O | 5 |
BrC=1C=C(C(=NC1)Cl)C(=O)NC1=C(C(=CC=C1)Cl)Cl>>BrC=1C=C(C(=NC1)Cl)C(=NC1=C(C(=CC=C1)Cl)Cl)Cl | 5 |
O=C1N(C(C2=CC=CC=C12)=O)C1CCC(CC1)S(=O)(=O)O>>O=C1N(C(C2=CC=CC=C12)=O)C1CCC(CC1)S(=O)(=O)Cl | 5 |
[Cl:1][C:2]1[C:3]([F:42])=[C:4]([C@@H:8]2[C@:12]([C:15]3[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][C:16]=3[F:22])([C:13]#[N:14])[C@H:11]([CH2:23][C:24]([CH3:27])([CH3:26])[CH3:25])[NH:10][C@H:9]2[C:28]([NH:30][C:31]2[CH:39]=[CH:38][C:34]([C:35]([OH:37])=[O:36])=[CH:33][C:32]=2[O:40][CH3:41])=[O:29])[CH:5]=[CH:6][CH:7]=1.C(=O)([O-])[O-].[Cs+].[Cs+].[CH3:49][O:50][CH2:51][CH2:52][N:53]([CH2:60][CH2:61][O:62][CH3:63])[C:54](=[O:59])[O:55][CH:56](Cl)[CH3:57]>CN(C)C=O.C(OCC)(=O)C>[CH3:63][O:62][CH2:61][CH2:60][N:53]([CH2:52][CH2:51][O:50][CH3:49])[C:54]([O:55][CH:56]([O:36][C:35](=[O:37])[C:34]1[CH:38]=[CH:39][C:31]([NH:30][C:28]([C@H:9]2[C@H:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[C:3]=3[F:42])[C@:12]([C:15]3[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][C:16]=3[F:22])([C:13]#[N:14])[C@H:11]([CH2:23][C:24]([CH3:26])([CH3:27])[CH3:25])[NH:10]2)=[O:29])=[C:32]([O:40][CH3:41])[CH:33]=1)[CH3:57])=[O:59] | 1 |
CN1C(=NC(=CC1=O)N1CCOCC1)CC(=O)[O-].[Na+].CC1NC2=CC=CC(=C2C1)F>N(C)(C)C=O.c1ccncc1.Cl.CN(CCCN=C=NCC)C>FC1=C2CC(N(C2=CC=C1)C(CC1=NC(=CC(N1C)=O)N1CCOCC1)=O)C | 3 |
[CH2:1]([O:3][C:4](=[O:38])[C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([N:11]2[C:15]([CH3:16])=[CH:14][CH:13]=[C:12]2[C:17]2[CH:22]=[C:21](Br)[CH:20]=[CH:19][C:18]=2[O:24][CH2:25][C:26]2[CH:31]=[CH:30][C:29]([C:32]3C=CC=CC=3)=[CH:28][CH:27]=2)[CH:6]=1)[CH3:2].C([Br:46])C1C=CC=CC=1>>[CH2:1]([O:3][C:4](=[O:38])[C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([N:11]2[C:15]([CH3:16])=[CH:14][CH:13]=[C:12]2[C:17]2[C:22]([Br:46])=[CH:21][CH:20]=[CH:19][C:18]=2[O:24][CH2:25][C:26]2[CH:27]=[CH:28][C:29]([CH3:32])=[CH:30][CH:31]=2)[CH:6]=1)[CH3:2] | 2 |
C(C)NC(O[C@H]1C[C@H](CC1)C1=NN(C(=C1)N)C(C)(C)C)=O.CN1N=CC2=CC(=CC=C12)CC(=O)O>ClCCl.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>C(C)NC(O[C@H]1C[C@H](CC1)C1=NN(C(=C1)NC(CC=1C=C2C=NN(C2=CC1)C)=O)C(C)(C)C)=O | 3 |
[CH2:1]([O:8][C:9]([NH:11][CH2:12][CH2:13][C@@H:14]([C:23]([NH:25][C:26]1[CH:31]=[CH:30][C:29]([CH:32]([C:64]2[CH:69]=[CH:68][C:67]([NH:70][C:71](=[O:94])[C@H:72]([CH2:81][CH2:82][NH:83][C:84]([O:86][CH2:87][C:88]3[CH:93]=[CH:92][CH:91]=[CH:90][CH:89]=3)=[O:85])[NH:73]C(OC(C)(C)C)=O)=[CH:66][CH:65]=2)[C:33]2[CH:38]=[CH:37][C:36]([NH:39][C:40](=[O:63])[C@H:41]([CH2:50][CH2:51][NH:52][C:53]([O:55][CH2:56][C:57]3[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=3)=[O:54])[NH:42]C(OC(C)(C)C)=O)=[CH:35][CH:34]=2)=[CH:28][CH:27]=1)=[O:24])[NH:15]C(OC(C)(C)C)=O)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[ClH:95].O1CCOCC1>O1CCCC1>[ClH:95].[CH2:1]([O:8][C:9]([NH:11][CH2:12][CH2:13][C@@H:14]([C:23]([NH:25][C:26]1[CH:27]=[CH:28][C:29]([CH:32]([C:64]2[CH:69]=[CH:68][C:67]([NH:70][C:71](=[O:94])[C@H:72]([CH2:81][CH2:82][NH:83][C:84]([O:86][CH2:87][C:88]3[CH:89]=[CH:90][CH:91]=[CH:92][CH:93]=3)=[O:85])[NH2:73])=[CH:66][CH:65]=2)[C:33]2[CH:38]=[CH:37][C:36]([NH:39][C:40](=[O:63])[C@H:41]([CH2:50][CH2:51][NH:52][C:53]([O:55][CH2:56][C:57]3[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=3)=[O:54])[NH2:42])=[CH:35][CH:34]=2)=[CH:30][CH:31]=1)=[O:24])[NH2:15])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
BrCC=1C=CC2=C(C=C(O2)C#N)C1>O.CS(=O)C.C[N+](C)(C)[O-]>C(=O)C=1C=CC2=C(C=C(O2)C#N)C1 | 3 |
[Br-].C(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.BrC1=CC(=CS1)C(C)=O>CC(C)(C)[O-].[K+].C1CCCO1>BrC=1SC=C(C1)C(=CC)C | 3 |
BrC=1C=CC(=NC1)OC.C1COC2(CCC(CC2)=O)O1>C1CCCO1.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].[Na+]>COC1=CC=C(C=N1)C1CC2(OCCO2)CCC1=O | 3 |
[O:1]1[CH2:6][CH2:5][O:4][CH2:3][CH:2]1[CH2:7][CH2:8][N:9]1[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[C:11]([CH:18]2[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]2)=[CH:10]1.C([O:26][C:27](=[O:38])[C:28]1[CH:33]=[C:32]([CH2:34]Br)[CH:31]=[CH:30][C:29]=1[O:36][CH3:37])C>>[O:1]1[CH2:6][CH2:5][O:4][CH2:3][CH:2]1[CH2:7][CH2:8][N:9]1[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[C:11]([CH:18]2[CH2:23][CH2:22][N:21]([CH2:34][C:32]3[CH:31]=[CH:30][C:29]([O:36][CH3:37])=[C:28]([CH:33]=3)[C:27]([OH:38])=[O:26])[CH2:20][CH2:19]2)=[CH:10]1 | 1 |
BrC1=CC=C(C=C1)OCC#N>C1CCCO1.CSC.B>BrC1=CC=C(C=C1)OCCN | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([NH:11][C:12]2[CH:13]=[C:14]([C:18]([C:20]3[C:28]4[CH:27]=[N:26][CH:25]=[N:24][C:23]=4[N:22]([CH2:29][C:30]([O:32]C)=[O:31])[CH:21]=3)=[O:19])[CH:15]=[N:16][CH:17]=2)=[O:10])=[CH:4][CH:3]=1.[OH-].[K+:35]>CO>[K+:35].[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([NH:11][C:12]2[CH:13]=[C:14]([C:18]([C:20]3[C:28]4[CH:27]=[N:26][CH:25]=[N:24][C:23]=4[N:22]([CH2:29][C:30]([O-:32])=[O:31])[CH:21]=3)=[O:19])[CH:15]=[N:16][CH:17]=2)=[O:10])=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)OC(=O)N1N(CC(C1)O)C(CC1=CC=C(C=C1)F)=O>ClCCl.c1ccncc1.ClC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]>C(C1=CC=CC=C1)OC(=O)N1N(CC(C1)OC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(CC1=CC=C(C=C1)F)=O | 3 |
C(C)(C)(C)OP(=O)(OC(C)(C)C)OCCN1CCN(CC1)C(=O)OCC1=CC=CC=C1>CO[H].[HH].[Pd]>P(=O)(OC(C)(C)C)(OC(C)(C)C)OCCN1CCNCC1 | 3 |
[O-2:1].[Fe+2:2].[Fe:3](Cl)Cl.[NH4+].[NH4+].[O-:8][Mo:9]([O-])(=O)=O>O>[OH-:8].[Fe+2:3].[OH-:1].[O-2:8].[Fe+2:2].[OH-:8].[Mo+4:9].[OH-:8].[OH-:8].[OH-:8].[Mo:9]=[O:8] | 2 |
[CH3:1][CH:2]([CH3:31])[C:3]([NH:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:17]=[CH:16][N:15]=[C:14]([NH:18][C:19]3[CH:24]=[CH:23][C:22]([CH2:25][C:26]([O:28]CC)=[O:27])=[CH:21][CH:20]=3)[N:13]=2)=[CH:8][CH:7]=1)=[O:4].ClC1N=C(C2C=CC(NC(=O)C(C)C)=CC=2)C=CN=1.C(OC(=O)CC1C=CC(N)=CC=1)C.C([O-])([O-])=O.[Cs+].[Cs+].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1>O1CCOCC1.CCOC(C)=O.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH3:1][CH:2]([CH3:31])[C:3]([NH:5][C:6]1[CH:7]=[CH:8][C:9]([C:12]2[CH:17]=[CH:16][N:15]=[C:14]([NH:18][C:19]3[CH:20]=[CH:21][C:22]([CH2:25][C:26]([OH:28])=[O:27])=[CH:23][CH:24]=3)[N:13]=2)=[CH:10][CH:11]=1)=[O:4] | 2 |
C([Li])CCC.[CH2:6]([O:13][C:14]1[CH:19]=[C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[C:17](Br)=[CH:16][C:15]=1[C:29]1[O:33][N:32]=[C:31]([CH3:34])[C:30]=1[C:35]1[CH:40]=[CH:39][C:38]([O:41][CH3:42])=[CH:37][CH:36]=1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.Cl[C:44]([O:46][CH3:47])=[O:45]>O1CCCC1>[CH3:47][O:46][C:44](=[O:45])[C:17]1[CH:16]=[C:15]([C:29]2[O:33][N:32]=[C:31]([CH3:34])[C:30]=2[C:35]2[CH:40]=[CH:39][C:38]([O:41][CH3:42])=[CH:37][CH:36]=2)[C:14]([O:13][CH2:6][C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[CH:19][C:18]=1[O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 1 |
O.[K].[N+](=O)([O-])C=1C=C(C(=CC1)OC)O.BrCC(=O)C1CC1>N(C)(C)C=O>C1(CC1)C(COC1=C(C=C(C=C1)[N+](=O)[O-])OC)=O | 3 |
CC1(C)C(C)(C)OB([C:9]2[CH:10]=[C:11]3[CH:17]=[CH:16][NH:15][C:12]3=[N:13][CH:14]=2)O1.BrC1C=C2C=CNC2=NC=1.[F:29][CH:30]([F:49])[CH2:31][N:32]1[CH:36]=[C:35]([C:37]2[CH:42]=[CH:41][N:40]=[C:39]([NH:43][CH2:44][CH2:45][C:46]#[N:47])[N:38]=2)[C:34](I)=[N:33]1.[F-].[Cs+].ClCCl>COCCOC.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]>[F:49][CH:30]([F:29])[CH2:31][N:32]1[CH:36]=[C:35]([C:37]2[CH:42]=[CH:41][N:40]=[C:39]([NH:43][CH2:44][CH2:45][C:46]#[N:47])[N:38]=2)[C:34]([C:9]2[CH:10]=[C:11]3[CH:17]=[CH:16][NH:15][C:12]3=[N:13][CH:14]=2)=[N:33]1 | 1 |
Cl.[F:2][C:3]1[CH:17]=[CH:16][C:6]2[C:7]([CH:10]3[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]3)=[N:8][O:9][C:5]=2[CH:4]=1.[OH-].[Na+]>O>[F:2][C:3]1[CH:17]=[CH:16][C:6]2[C:7]([CH:10]3[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]3)=[N:8][O:9][C:5]=2[CH:4]=1 | 1 |
ClC1=C2C(=NC=N1)NN=C2>N(C)(C)C=O.ClCCl.CC(=O)C.IN1C(CCC1=O)=O>ClC1=C2C(=NC=N1)NN=C2I | 3 |
C(C1=CC=CC=C1)ON1C(C=C(C2=C1N=CN=C2C)O)=O>>FC(S(=O)(=O)OC1=CC(N(C=2N=CN=C(C21)C)OCC2=CC=CC=C2)=O)(F)F | 5 |
C(C)(=O)C=1C(NC2=CC=C(C=C2C1C1=CC=CC=C1)Cl)=O.CC1=CC2=C(N(C(=N2)C=O)COCC[Si](C)(C)C)C=C1>O.CCO[H].[OH-].[Na+]>ClC=1C=C2C(=C(C(NC2=CC1)=O)C(C=CC1=NC2=C(N1COCC[Si](C)(C)C)C=CC(=C2)C)=O)C2=CC=CC=C2 | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@H]1CC(N(CC1)C(=O)OC(C)(C)C)(C)C>ClCCl.C(=O)(C(F)(F)F)O.O(C(C)(C)C)C.[OH-].[Na+]>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@H]1CC(NCC1)(C)C | 3 |
[N+](=O)([O-])C=1C(N(C=CC1)CC(=O)OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>[N+](=O)([O-])C=1C(N(C=CC1)CC(=O)O)=O | 3 |
C(OC([O:7][C@@H:8]([C@H:10]1[C:25](=[O:26])[N:12]2[C:13]([C:19]([O:21]CC=C)=[O:20])=[C:14]([CH2:17]O)[C@H:15]([CH3:16])[C@H:11]12)[CH3:9])=O)C=C.[OH:27][CH2:28][C:29]1[N:30]=[CH:31][N:32]2[CH:36]=[CH:35][S:34][C:33]=12>>[OH:7][C@@H:8]([C@H:10]1[C:25](=[O:26])[N:12]2[C:13]([C:19]([O-:21])=[O:20])=[C:14]([CH2:17][N:30]3[C:29]([CH2:28][OH:27])=[C:33]4[S:34][CH:35]=[CH:36][N+:32]4=[CH:31]3)[C@H:15]([CH3:16])[C@H:11]12)[CH3:9] | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=2[CH3:26])[CH2:9][C:10]([C:12]2[CH:13]=[CH:14][C:15](=[O:19])[N:16]([CH3:18])[CH:17]=2)=[O:11])=[CH:4][CH:3]=1.[F:27][C:28]1[CH:29]=[C:30](B(O)O)[CH:31]=[CH:32][C:33]=1[C:34]([O:36][CH3:37])=[O:35].O.C(=O)([O-])[O-].[Na+].[Na+]>O1CCOCC1.[CH-]1C=C(P(C2C=CC=CC=2)C2C=CC=CC=2)C=C1.[CH-]1C=C(P(C2C=CC=CC=2)C2C=CC=CC=2)C=C1.Cl[Pd]Cl.[Fe+2]>[CH3:37][O:36][C:34]([C:33]1[CH:32]=[CH:31][C:30]([C:2]2[CH:3]=[CH:4][C:5]([CH:8]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=3[CH3:26])[CH2:9][C:10]([C:12]3[CH:13]=[CH:14][C:15](=[O:19])[N:16]([CH3:18])[CH:17]=3)=[O:11])=[CH:6][CH:7]=2)=[CH:29][C:28]=1[F:27])=[O:35] | 1 |
NC1=CC=C(C=C1)[C@H]1CN(CCO1)C(=O)OC(C)(C)C.FC(OC1=CC=C(C=C1)N1N=CC(=C1)C(=O)O)(F)F>>FC(OC1=CC=C(C=C1)N1N=CC(=C1)C(=O)NC1=CC=C(C=C1)[C@H]1CN(CCO1)C(=O)OC(C)(C)C)(F)F | 5 |
C(C)(C)(C)OC(NC1=CC=C(C=C1)O)=O.BrC1CCC1>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CCC1)OC1=CC=C(C=C1)NC(OC(C)(C)C)=O | 3 |
O[C@H](C(=O)OC)CC1=CC=CC=C1.ClC=1C=C(C=C(C1)Cl)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>ClC=1C=C(O[C@@H](C(=O)OC)CC2=CC=CC=C2)C=C(C1)Cl | 3 |
C(C)I.ClC=1C=C2C=C(C=NC2=CC1)O>N(C)(C)C=O.C1CCCO1.[H-].[Na+]>ClC=1C=C2C=C(C=NC2=CC1)OCC | 3 |
[CH:1]1([N:4]([CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[C:40]([Cl:44])[C:39]=2[Cl:45])[C:5]([C:7]2[C@@H:8]3[NH:36][C@H:12]([CH2:13][C:14]=2C2C=CC(OC[C@H](C)COC4C(F)=CC=C(F)C=4F)=CC=2)[CH2:11][NH:10][CH2:9]3)=[O:6])[CH2:3][CH2:2]1.C1(N(CC2C=CC=C(Cl)C=2Cl)C(C2[C@@H]3N[C@@H](CC=2[C:60]2[CH:65]=[CH:64][C:63]([O:66][CH2:67][C@H:68]([CH3:80])[CH2:69][O:70][C:71]4[C:76]([F:77])=[CH:75][CH:74]=[C:73]([F:78])[C:72]=4[F:79])=[CH:62][CH:61]=2)CNC3)=O)CC1>>[CH:1]1([N:4]([CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[C:40]([Cl:44])[C:39]=2[Cl:45])[C:5]([C:7]2[C@H:8]3[NH:36][C@@H:12]([CH2:13][C:14]=2[C:62]2[CH:61]=[CH:60][CH:65]=[CH:64][C:63]=2[O:66][CH2:67][C@H:68]([CH3:80])[CH2:69][O:70][C:71]2[C:76]([F:77])=[CH:75][CH:74]=[C:73]([F:78])[C:72]=2[F:79])[CH2:11][NH:10][CH2:9]3)=[O:6])[CH2:2][CH2:3]1 | 2 |
FC1=C(C(=CC(=C1)OC1CN(C1)CCCF)F)[C@H]1N[C@@H](CC2=C1N(C1=CC=CC=C21)C(=O)OC(C)(C)C)C>ClCCl.CS(=O)(=O)Cl.C(C)(C)N(C(C)C)CC>FC1=C(C(=CC(=C1)OC1CN(C1)CCCF)F)[C@H]1N([C@@H](CC2=C1N(C1=CC=CC=C21)C(=O)OC(C)(C)C)C)S(=O)(=O)C | 3 |
[F:1][C:2]([F:16])([F:15])[C:3]1[CH:4]=[C:5]([N:9]2[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)[CH:6]=[CH:7][CH:8]=1.FC1C=CC(N2CCNCC2)=CC=1.[CH:30]1([CH2:33][CH2:34][NH:35][C:36]([C:38]2[N:39]=[N:40][C:41](Cl)=[CH:42][CH:43]=2)=[O:37])[CH2:32][CH2:31]1>>[CH:30]1([CH2:33][CH2:34][NH:35][C:36]([C:38]2[N:39]=[N:40][C:41]([N:12]3[CH2:13][CH2:14][N:9]([C:5]4[CH:6]=[CH:7][CH:8]=[C:3]([C:2]([F:1])([F:15])[F:16])[CH:4]=4)[CH2:10][CH2:11]3)=[CH:42][CH:43]=2)=[O:37])[CH2:32][CH2:31]1 | 1 |
C(#N)[C@]12CC(C[C@H](CC1)N2C)CC(=O)OCC>>[C@H]12CC(C[C@H](CC1)N2C)CC(=O)OCC | 5 |
C[Si](C)(C)OC(\C=C\C)=O>>C[Si](C)(C)OC(\C=C\CBr)=O | 5 |
CI.C(C1=CC=CC=C1)N(CCC1=CNC2=CC=CC=C12)CC1=CC=CC=C1>N(C)(C)C=O.O.[H-].[Na+]>CN1C=C(CCN(CC2=CC=CC=C2)CC2=CC=CC=C2)C2=CC=CC=C12 | 3 |
ClC=1C=CC(=C(C1)CN1N=C(C=C1C)C#N)OCC1=C(C=C(C=C1)F)F>C(C)OCC.CCO[H]>Cl.ClC=1C=CC(=C(C1)CN1N=C(C=C1C)C(OCC)=N)OCC1=C(C=C(C=C1)F)F | 3 |
[CH3:1][NH:2][C:3]([C:5]1[CH:10]=[C:9]([O:11][C:12]2[CH:17]=[CH:16][C:15]([NH:18][C:19](=[O:21])[O-])=[CH:14][CH:13]=2)[CH:8]=[CH:7][N:6]=1)=[O:4].[F:22][C:23]([F:33])([F:32])[C:24]1[CH:25]=[C:26]([CH:28]=[CH:29][C:30]=1[Cl:31])[NH2:27]>C(#N)C>[Cl:31][C:30]1[CH:29]=[CH:28][C:26]([NH:27][C:19](=[O:21])[NH:18][C:15]2[CH:14]=[CH:13][C:12]([O:11][C:9]3[CH:8]=[CH:7][N:6]=[C:5]([C:3]([NH:2][CH3:1])=[O:4])[CH:10]=3)=[CH:17][CH:16]=2)=[CH:25][C:24]=1[C:23]([F:22])([F:32])[F:33] | 1 |
FC=1C(=NC(=CN1)C(F)(F)F)C(=O)NC1=CC=C(C=C1)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCC1=CC=C(C=C1)C=1C=C2C(=NC1)NN=C2N>>NC1=NNC2=NC=C(C=C21)C2=CC=C(CNC=1C(=NC(=CN1)C(F)(F)F)C(=O)NC1=CC=C(C=C1)F)C=C2 | 5 |
FC1=CC=C(C=C1)N=C=O.C(C)(C)(C)OC(=O)N1C[C@H](CCC1)N>ClCCl>C(C)(C)(C)OC(=O)N1C[C@H](CCC1)NC(=O)NC1=CC=C(C=C1)F | 3 |
NC1=C(C(=O)O)C=C(C=C1[N+](=O)[O-])Br>CO[H].ClS(Cl)=O.C(C)(=O)OCC>COC(C1=C(C(=CC(=C1)Br)[N+](=O)[O-])N)=O | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([NH2:8])=[C:4]([NH2:9])[CH:3]=1.[N:10]#[C:11]Br>C(O)C.C(O)(=O)C>[BrH:1].[Br:1][C:2]1[CH:7]=[CH:6][C:5]2[NH:8][C:11]([NH2:10])=[N:9][C:4]=2[CH:3]=1 | 1 |
C1(CCCCC1)CO.ClC1=CC=[N+](C=C1)[O-]>>C1(CCCCC1)COC1=CC(NC=C1)=O | 5 |
COCCS(=O)(=O)Cl.BrC=1C=C(C=NC1)N[C@@H](CN)C1=CC=CC=C1>ClCCl.C(C)(C)N(C(C)C)CC>BrC=1C=C(C=NC1)N[C@@H](CNS(=O)(=O)CCOC)C1=CC=CC=C1 | 3 |
C1(CC1)S(=O)(=O)Cl.NC1=NOC2=C1C=C1C(C(N(C1=C2)C=2C=NC(=C(C2)Cl)OCC(C)C)=O)(C)C>>ClC=1C=C(C=NC1OCC(C)C)N1C(C(C2=CC3=C(C=C12)ON=C3NS(=O)(=O)C3CC3)(C)C)=O | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)=N.BrC=1C=NC2=CC=C(C=C2C1)OCCCCCO>C1(=CC=CC=C1)C.O.Cl.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].CC(C)(C)[O-].[Na+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>NC=1C=NC2=CC=C(C=C2C1)OCCCCCO | 3 |
[Na].[CH2:2]([O:4][C@H:5]1[CH2:22][C@@:21]2([CH3:23])[C@@H:8]([CH2:9][CH2:10][C@@H:11]3[C@@H:20]2[C:19](=[N:24]O)[CH2:18][C@@:16]2([CH3:17])[C@H:12]3[CH2:13][CH2:14][C:15]32OCC[O:26]3)[CH2:7][C@@H:6]1[OH:30])[CH3:3]>C(O)CC>[NH2:24][C@@H:19]1[CH2:18][C@@:16]2([CH3:17])[C@@H:12]([CH2:13][CH2:14][C:15]2=[O:26])[C@H:11]2[C@H:20]1[C@:21]1([CH3:23])[C@@H:8]([CH2:9][CH2:10]2)[CH2:7][C@H:6]([OH:30])[C@@H:5]([O:4][CH2:2][CH3:3])[CH2:22]1 | 1 |
[ClH:1].C(OCC)(=O)C.[CH3:8][N:9]([CH3:42])[CH2:10][CH2:11][N:12]1[C:16]2[CH:17]=[CH:18][C:19]([C:21]([NH:23][CH3:24])=[O:22])=[CH:20][C:15]=2[N:14]=[C:13]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41]>C(OCC)(=O)C.C(O)C>[ClH:1].[CH3:8][N:9]([CH3:42])[CH2:10][CH2:11][N:12]1[C:16]2[CH:17]=[CH:18][C:19]([C:21]([NH:23][CH3:24])=[O:22])=[CH:20][C:15]=2[N:14]=[C:13]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41] | 1 |
FC1=CC=C(CN)C=C1.C(#N)/C=C/S(=O)(=O)C=1C=C(C=CC1)C(C(=O)O)(C)C>CC#N.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>C(#N)/C=C/S(=O)(=O)C=1C=C(C=CC1)C(C(=O)NCC1=CC=C(C=C1)F)(C)C | 3 |
NC1=C(C=C(C=C1)Br)C(C)=O>O.Cl.N(=O)[O-].[Na+]>BrC=1C=C2C(C=NNC2=CC1)=O | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.[C:8](Cl)(=[O:15])[C:9]1[CH:14]=[CH:13][CH:12]=[N:11][CH:10]=1.[CH3:17][C:18]([CH3:44])([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH:26]([O:37][CH:38]1[CH2:43][CH2:42][CH2:41][CH2:40][O:39]1)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32]([CH3:36])([CH3:35])[CH2:33][OH:34])[CH2:19]O.C[C:46]([O:49]C)(C)C>>[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH:38]1[O:37][CH:26]([CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][C:18]([CH3:44])([CH3:19])[CH2:17][C:8](=[O:15])[C:9]1[CH:14]=[CH:13][CH:12]=[N:11][CH:10]=1)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32]([CH3:36])([CH3:35])[CH2:33][O:34][C:46](=[O:49])[C:3]1[CH:4]=[CH:5][CH:6]=[N:1][CH:2]=1 | 1 |
C(OC([N:8]1[CH2:13][CH:12]=[C:11]([C:14]2[CH:19]=[N:18][C:17]([N:20](C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=[C:16]([C:35]3[O:36][C:37]([C:40]4[CH:45]=[CH:44][C:43]([CH2:46][Br:47])=[CH:42][CH:41]=4)=[N:38][N:39]=3)[N:15]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.Cl>O1CCOCC1>[Br:47][CH2:46][C:43]1[CH:42]=[CH:41][C:40]([C:37]2[O:36][C:35]([C:16]3[C:17]([NH2:20])=[N:18][CH:19]=[C:14]([C:11]4[CH2:12][CH2:13][NH:8][CH2:9][CH:10]=4)[N:15]=3)=[N:39][N:38]=2)=[CH:45][CH:44]=1 | 1 |
[CH:1]1([CH2:7][C:8]2[N:9]=[C:10]([C:13]3[O:17][C:16]([CH2:18][C:19]([CH3:24])([CH3:23])[C:20]([OH:22])=[O:21])=[N:15][N:14]=3)[S:11][CH:12]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.Br[C:26]1[CH:31]=[CH:30][C:29]([S:32]([NH:35][C@@H:36]([CH3:41])[C:37]([F:40])([F:39])[F:38])(=[O:34])=[O:33])=[C:28]([F:42])[C:27]=1[CH:43]([F:45])[F:44]>>[CH:1]1([CH2:7][C:8]2[N:9]=[C:10]([C:13]3[O:17][C:16]([CH2:18][C:19]([CH3:24])([CH3:23])[C:20]([OH:22])=[O:21])=[N:15][N:14]=3)[S:11][C:12]=2[C:26]2[CH:31]=[CH:30][C:29]([S:32](=[O:33])(=[O:34])[NH:35][C@@H:36]([CH3:41])[C:37]([F:40])([F:39])[F:38])=[C:28]([F:42])[C:27]=2[CH:43]([F:45])[F:44])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 2 |
C(#N)C1=CC=C(C=C1)C(C(=O)OC)F>CO[H].Cl.[HH].[Al].[Ni]>NCC1=CC=C(C=C1)C(C(=O)OC)F | 3 |
[CH2:1]([S:8][C:9]1[CH:14]=[C:13]([O:15][C:16]2[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][C:17]=2[Cl:26])[CH:12]=[CH:11][C:10]=1[N+:27]([O-])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.P([O-])(O)O.[Na+]>C(O)C.[Pd]>[CH2:1]([S:8][C:9]1[CH:14]=[C:13]([O:15][C:16]2[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:23])[F:24])=[CH:18][C:17]=2[Cl:26])[CH:12]=[CH:11][C:10]=1[NH2:27])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[N+](=O)([O-])C1=NN(C=C1)C1=NC=CC=N1>ClCCl.[Fe].CCO[H].[Cl-].[NH4+]>N1=C(N=CC=C1)N1N=C(C=C1)N | 3 |
CN(C(=O)C1=C2CCCN(C2=CC=C1)C1=NN(C2=NC(=CN=C21)N2CCC(CC2)(C)CNC(OC(C)(C)C)=O)CC2=CC=C(C=C2)OC)C>C(=O)(C(F)(F)F)O.FC(S(=O)(=O)O)(F)F>Cl.NCC1(CCN(CC1)C1=CN=C2C(=N1)NN=C2N2CCCC=1C(=CC=CC21)C(=O)N(C)C)C | 3 |
NC(C(F)(F)F)C=1C=C(C=C(C1)C1=CC(=CC=C1)CN)COC1=C(C=CC=C1)CC(=O)OC>>NC(C(F)(F)F)C=1C=C(C=C(C1)C1=CC(=CC=C1)CN)COC1=C(C=CC=C1)CC(=O)O | 5 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][CH:14]([N:17]2[C:21]([CH3:22])=[C:20](S)[N:19]=[N:18]2)[CH2:13][CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[K+]>[N+]([O-])(O)=O>[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][CH:14]([N:17]2[C:21]([CH3:22])=[CH:20][N:19]=[N:18]2)[CH2:13][CH2:12]1)=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
N1N=C(C2=NC=CC=C21)C(=O)OC>[HH].C(C)(=O)O.O.[Pt]=O>N1N=C(C=2NCCCC21)C(=O)OC | 3 |
[CH2:1]([N:3]1[C:12]2[CH:11]=[CH:10][C:9](/[CH:13]=[CH:14]/[C:15](OC)=[O:16])=[CH:8][C:7]=2[C:6]2=[N:19][N:20]([CH:23]3[CH2:28][CH2:27][CH2:26][CH2:25][O:24]3)[C:21]([CH3:22])=[C:5]2[C:4]1=[O:29])[CH3:2].[H-].[Al+3].[Li+].[H-].[H-].[H-].O.[OH-].[Na+].[O-]S([O-])(=O)=O.[Mg+2]>C1COCC1>[CH2:1]([N:3]1[C:12]2[CH:11]=[CH:10][C:9](/[CH:13]=[CH:14]/[CH2:15][OH:16])=[CH:8][C:7]=2[C:6]2=[N:19][N:20]([CH:23]3[CH2:28][CH2:27][CH2:26][CH2:25][O:24]3)[C:21]([CH3:22])=[C:5]2[C:4]1=[O:29])[CH3:2] | 2 |
ClC1=C(C=O)C=C(C(=C1)O)OC.N1C(=NC2=C1C=CC=C2)COC2=CC(=C(C=O)C=C2Cl)F>N(C)(C)C=O.[H-].[Na+]>N1C(=NC2=C1C=CC=C2)COC2=CC(=C(C=O)C=C2OC)Cl | 3 |
FC1=C(C(=O)Cl)C=CC=C1.NC1=CC=C(C(=O)OC)C=C1>>FC1=C(C=CC=C1)C(=O)NC1=CC=C(C(=O)OC)C=C1 | 5 |
BrC1=CC(=C(C=C1)NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)F)F>N(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].C(C)(=O)[O-].[K+]>FC1=C(C=CC(=C1)B1OC(C(O1)(C)C)(C)C)NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)F | 3 |
[CH3:1][C:2]1[O:6][N:5]=[C:4]([CH2:7][N:8]2[CH:12]=[C:11]([C:13]#[C:14][Si](C)(C)C)[CH:10]=[N:9]2)[CH:3]=1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C1COCC1.C(OCC)(=O)C.O>[C:13]([C:11]1[CH:10]=[N:9][N:8]([CH2:7][C:4]2[CH:3]=[C:2]([CH3:1])[O:6][N:5]=2)[CH:12]=1)#[CH:14] | 1 |
[CH:1]1([C:5]2[C:6]([O:14][C@@H:15]([CH3:20])[C:16]([F:19])([F:18])[F:17])=[CH:7][C:8]([C:11]([OH:13])=O)=[N:9][CH:10]=2)[CH2:4][CH2:3][CH2:2]1.[CH3:21][S:22]([CH2:25][C:26]([NH2:34])([CH3:33])[C:27]1[N:31]=[C:30]([CH3:32])[O:29][N:28]=1)(=[O:24])=[O:23]>>[CH3:21][S:22]([CH2:25][C:26]([NH:34][C:11]([C:8]1[CH:7]=[C:6]([O:14][C@@H:15]([CH3:20])[C:16]([F:19])([F:18])[F:17])[C:5]([CH:1]2[CH2:2][CH2:3][CH2:4]2)=[CH:10][N:9]=1)=[O:13])([CH3:33])[C:27]1[N:31]=[C:30]([CH3:32])[O:29][N:28]=1)(=[O:23])=[O:24] | 1 |
[C:1]([NH:4][C:5]1([C:12]#[N:13])[CH2:10][CH:9]2[CH2:11][CH:6]1[CH2:7][CH2:8]2)(=[O:3])[CH3:2].[C:14](O)(=[O:16])[CH3:15]>C(OC(=O)C)(=O)C.[Pt]=O>[C:1]([NH:4][C:5]1([CH2:12][NH:13][C:14](=[O:16])[CH3:15])[CH2:10][CH:9]2[CH2:11][CH:6]1[CH2:7][CH2:8]2)(=[O:3])[CH3:2] | 1 |
ClC1=NC(=CC=C1[N+](=O)[O-])OC1(CC1)SC1=CC=CC=C1>>C1(=CC=CC=C1)S(=O)(=O)C1(CC1)OC1=CC=C(C(=N1)Cl)[N+](=O)[O-] | 5 |
Br[C:2]1[C:3]([F:19])=[CH:4][C:5]2[O:11][CH2:10][CH2:9][N:8]3[CH:12]=[C:13]([C:15]([NH2:17])=[O:16])[N:14]=[C:7]3[C:6]=2[CH:18]=1.[CH3:20][O:21][CH2:22][C:23]([CH3:27])([OH:26])[C:24]#[CH:25]>>[F:19][C:3]1[C:2]([C:25]#[C:24][C:23]([OH:26])([CH3:27])[CH2:22][O:21][CH3:20])=[CH:18][C:6]2[C:7]3[N:8]([CH:12]=[C:13]([C:15]([NH2:17])=[O:16])[N:14]=3)[CH2:9][CH2:10][O:11][C:5]=2[CH:4]=1 | 1 |
BrCC1=NC=C(C=C1)OCC(F)(F)F>>NCC1=NC=C(C=C1)OCC(F)(F)F | 5 |
CC=1C(=NC=CC1)OCC1(CC1)N.CN1[C@H](CCC1)CC(=O)O>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CC=1C(=NC=CC1)OCC1(CC1)NC(C[C@@H]1N(CCC1)C)=O | 3 |
FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.O1C(NC2=C1C=CC=C2)=C(C#N)C2=NC(=NC=C2)NCC2CCNCC2>>C(C)(=O)N1CCC(CC1)CNC1=NC=CC(=N1)C(C#N)=C1OC2=C(N1)C=CC=C2 | 5 |
N1C=NC2=C1C=CC=C2.[I-].C(CCC)[NH3+].BrCC1=C(C=CC(=C1)C)C>>CC1=C(CN2C=NC3=C2C=CC=C3)C=C(C=C1)C | 5 |
BrCCO.Cl.FCC1CNC1>>FCC1CN(C1)CCO | 5 |
C(C1=CC=CC=C1)OC1=C(C(=CC(=C1)Br)[N+](=O)[O-])N(C(C)=O)CCOC>>C(C1=CC=CC=C1)OC1=CC(=CC2=C1N(C(=N2)C)CCOC)Br | 5 |
[Br-].C[Mg+].BrC1=CC2=C(NC(O2)=O)C=C1OC>>COC=1C(=CC2=C(NC(O2)=O)C1)C=O | 5 |
C(C1=CC=CC=C1)Br.C(=O)(OC(C)(C)C)N1[C@H](C(=O)O)CCC1>>N1([C@H](C(=O)OCC2=CC=CC=C2)CCC1)C(=O)OC(C)(C)C | 5 |
O=C(NCCCC[C@@H](C(OC(C)(C)C)=O)NC(=O)N[C@H:20]([C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34])[CH2:21][CH2:22][C:23]([O:25]CC1C=CC=CC=1)=[O:24])OCC1C=CC=CC=1.C([O-])=O.[NH4+]>CCO.[Pd]>[C:36]([O:35][C:33](=[O:34])[CH2:20][CH2:21][CH2:22][C:23]([OH:25])=[O:24])([CH3:39])([CH3:37])[CH3:38] | 1 |
[C:1]([NH:4][C:5]1[S:6][C:7]([C:14]2[CH:19]=[CH:18][C:17]([S:20][CH3:21])=[CH:16][CH:15]=2)=[C:8]([C:10](OC)=[O:11])[N:9]=1)(=[O:3])[CH3:2].[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCCC1>[CH:10]([C:8]1[N:9]=[C:5]([NH:4][C:1](=[O:3])[CH3:2])[S:6][C:7]=1[C:14]1[CH:15]=[CH:16][C:17]([S:20][CH3:21])=[CH:18][CH:19]=1)=[O:11] | 1 |
C[Si](C)(C)OO[Si](C)(C)C.BrC1=CC=C(C=C1)[C@@H]1CC[C@@H]2CCCCN12>C1CCCO1.C(CCC)[Li]>OC1=CC=C(C=C1)[C@@H]1CC[C@@H]2CCCCN12 | 3 |
C(C)(C)(C)OC(N(C)[C@@H](CNCC1=CC=CC=C1)CC1=CC=CC=C1)=O>O.O.[Pd]>C(C)(C)(C)OC(N(C)[C@H](CC1=CC=CC=C1)CN)=O | 3 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][C:14]([S:20]([C:23]2[CH:28]=[CH:27][C:26]([O:29][C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)=[CH:25][CH:24]=2)(=[O:22])=[O:21])([C:17](O)=[O:18])[CH2:13][CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:36](Cl)[CH2:37]Cl.C1C=CC2[N:48]([OH:49])N=NC=2C=1.C(N([CH2:55][CH3:56])CC)C.CN([CH:60]=[O:61])C>>[O:29]([C:26]1[CH:25]=[CH:24][C:23]([S:20]([C:14]2([C:17](=[O:18])[NH:48][O:49][CH:37]3[CH2:36][CH2:56][CH2:55][CH2:60][O:61]3)[CH2:13][CH2:12][N:11]([C:9]([O:8][CH2:1][C:2]3[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=3)=[O:10])[CH2:16][CH2:15]2)(=[O:22])=[O:21])=[CH:28][CH:27]=1)[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1 | 1 |
BrCC(=C)C.BrC=1C(=NC(=NC1Cl)Cl)NC1CC(C1)(F)F>N(C)(C)C=O.[H-].[Na+]>BrC=1C(=NC(=NC1Cl)Cl)N(CC(=C)C)C1CC(C1)(F)F | 3 |
ClCC1OC1.CC1(CC=2C(=C(SC2)C2=NC(=NO2)C2=CC(=C(C(=C2)C)O)C)CC1)C>>CC=1C=C(C=C(C1OCC1OC1)C)C1=NOC(=N1)C=1SC=C2C1CCC(C2)(C)C | 5 |
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