smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C([O:3][C:4]([C:6]1[C:7](=[O:29])[C:8]2[C:9]([N:14]([CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[CH:15]=1)=[N:10][CH:11]=[CH:12][N:13]=2)=[O:5])C.C1(C2C=CC=CC=2)C=CC=CC=1CN1C2C(=NC=CC=2)C(=O)C(C(O)=O)=C1>>[C:18]1([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=1[CH2:16][N:14]1[C:9]2=[N:10][CH:11]=[CH:12][N:13]=[C:8]2[C:7](=[O:29])[C:6]([C:4]([OH:5])=[O:3])=[CH:15]1 | 1 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][CH:6]=[C:5]2[Cl:12].[Li]CCCC.CON(C)[C:21]([C:23]1[N:24]=[CH:25][S:26][CH:27]=1)=[O:22]>C1COCC1>[Cl:12][C:5]1[C:4]2[C:9](=[CH:10][CH:11]=[C:2]([C:21]([C:23]3[N:24]=[CH:25][S:26][CH:27]=3)=[O:22])[CH:3]=2)[N:8]=[CH:7][CH:6]=1 | 1 |
C(C)OCOCC.BrC=1NC(=C(N1)[N+](=O)[O-])Br>>C(C)OCN1C(=NC(=C1Br)[N+](=O)[O-])Br | 5 |
[NH2:1][C:2]1[CH:3]=[C:4]([N:8]2[C:13](=[O:14])[C:12]([CH2:15][C:16]3[CH:17]=[N:18][CH:19]=[CH:20][CH:21]=3)=[N:11][C:10]3[CH:22]=[CH:23][CH:24]=[N:25][C:9]2=3)[CH:5]=[CH:6][CH:7]=1.C(N(CC)CC)C.[CH:33]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH:36]=[CH:35][C:34]=1[C:43](Cl)=[O:44].C(=O)(O)[O-].[Na+]>ClCCl.C(OCC)(=O)C>[CH:33]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH:36]=[CH:35][C:34]=1[C:43]([NH:1][C:2]1[CH:3]=[C:4]([N:8]2[C:13](=[O:14])[C:12]([CH2:15][C:16]3[CH:17]=[N:18][CH:19]=[CH:20][CH:21]=3)=[N:11][C:10]3[CH:22]=[CH:23][CH:24]=[N:25][C:9]2=3)[CH:5]=[CH:6][CH:7]=1)=[O:44] | 1 |
NC1=NOC(=C1)C(C)(C)C.[N+](=O)([O-])C1=CC=C(C=C1)OC=O>CC#N>C(C)(C)(C)C1=CC(=NO1)NC=O | 3 |
NC=1C(N(C(N(C1N)C)=O)CC1=CC=C(C=C1)OC)=O.FC(OC=1C=C(OCCC(=O)O)C=CC1)(F)F>O.CCO[H].CCN=C=NCCCN(C)C>NC1=C(C(N(C(N1C)=O)CC1=CC=C(C=C1)OC)=O)NC(CCCOC1=CC(=CC=C1)OC(F)(F)F)=O | 3 |
C[O:2][C:3](=[O:22])[CH2:4][C@@H:5]1[C:9]2=[CH:10][C:11]3[C:12]([S:18]([CH3:21])(=[O:20])=[O:19])=[CH:13][C:14]([F:17])=[CH:15][C:16]=3[N:8]2[CH2:7][CH2:6]1.[Cl:23][C:24]1[CH:31]=[C:30]([Cl:32])[CH:29]=[CH:28][C:25]=1[CH:26]=O>>[Cl:23][C:24]1[CH:31]=[C:30]([Cl:32])[CH:29]=[CH:28][C:25]=1[CH2:26][C:10]1[C:11]2[C:12]([S:18]([CH3:21])(=[O:20])=[O:19])=[CH:13][C:14]([F:17])=[CH:15][C:16]=2[N:8]2[CH2:7][CH2:6][C@H:5]([CH2:4][C:3]([OH:2])=[O:22])[C:9]=12 | 1 |
O.NO.CC=1C(=NC=CC1)C1N(C(CCC1)C1=NC=CC=C1C)CCCCN>C1CCCO1.ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC>CC=1C(=NC=CC1)C1N(C(CCC1)C1=NC=CC=C1C)CCCCN(C(=O)N)O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11](=O)[CH2:12][C:13]2[CH:18]=[CH:17][N:16]=[C:15]([Cl:19])[N:14]=2)[CH:6]=[C:7]([O:9][CH3:10])[CH:8]=1.[CH3:21][N:22]([CH3:26])[C:23]([NH2:25])=[S:24]>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]2[N:25]=[C:23]([N:22]([CH3:26])[CH3:21])[S:24][C:12]=2[C:13]2[CH:18]=[CH:17][N:16]=[C:15]([Cl:19])[N:14]=2)[CH:6]=[C:7]([O:9][CH3:10])[CH:8]=1.[CH3:21][N:22]([CH3:26])[C:23]([NH2:25])=[S:24] | 2 |
C(C)(C)(C)C1=C/C(/N(N1C)CC1CCCC1)=N\C(C(F)(F)F)=O>>C(C)(C)(C)C1=CC(N(N1C)CC1CCCC1)=N | 5 |
C(C1=CC=CC=C1)Br.CC(=O)C1=CC(=C(C(=C1)Br)O)Br>>C(C1=CC=CC=C1)OC1=C(C=C(C=C1Br)C(C)=O)Br | 5 |
FC1(CN(CC1)CC1CCNCC1)F.ClC=1C(=CN=NC1)N>>FC1(CN(CC1)CC1CCN(CC1)C=1C(=CN=NC1)N)F | 5 |
C([NH:8][C@H:9]([C:18]([NH:20][C@@H:21]([C:26]([NH:28][CH2:29][C:30]([NH:32][C@H:33]([C:41]([CH:43]1[C:50]2([NH2:52])[CH2:51][CH:46]3[CH2:47][CH:48]([CH2:53][C:44]1([C:54]([O:56][CH3:57])=[O:55])[CH2:45]3)[CH2:49]2)=[O:42])[CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)=[O:31])=[O:27])[CH2:22][CH2:23][CH2:24][CH3:25])=[O:19])[CH2:10][C:11]1[CH:16]=[CH:15][C:14]([OH:17])=[CH:13][CH:12]=1)(OC(C)(C)C)=O.[ClH:58]>C(OC)(=O)C.O1CCOCC1>[ClH:58].[NH2:8][C@H:9]([C:18]([NH:20][C@@H:21]([C:26]([NH:28][CH2:29][C:30]([NH:32][C@H:33]([C:41]([CH:43]1[C:50]2([NH2:52])[CH2:51][CH:46]3[CH2:47][CH:48]([CH2:53][C:44]1([C:54]([O:56][CH3:57])=[O:55])[CH2:45]3)[CH2:49]2)=[O:42])[CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)=[O:31])=[O:27])[CH2:22][CH2:23][CH2:24][CH3:25])=[O:19])[CH2:10][C:11]1[CH:12]=[CH:13][C:14]([OH:17])=[CH:15][CH:16]=1 | 1 |
[NH2:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[C:5]([O:10][CH3:11])=[CH:4][C:3]=1[C:12]([C:14]1[CH:19]=[CH:18][CH:17]=[C:16]([Br:20])[CH:15]=1)=[O:13].[S:21]1[CH:25]=[CH:24][CH:23]=[C:22]1[CH2:26][C:27](O)=[O:28].CCN(CC)CC>C(Cl)Cl.N#N>[Br:20][C:16]1[CH:15]=[C:14]([C:12]([C:3]2[CH:4]=[C:5]([O:10][CH3:11])[C:6]([O:8][CH3:9])=[CH:7][C:2]=2[NH:1][C:27](=[O:28])[CH2:26][C:22]2[S:21][CH:25]=[CH:24][CH:23]=2)=[O:13])[CH:19]=[CH:18][CH:17]=1 | 1 |
C1(CCCCC1)CC=1N=C(OC1C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(=O)OC>O.C1CCCO1.O[Li].O>C1(CCCCC1)CC=1N=C(OC1C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(=O)O | 3 |
[OH:1][C:2]1[CH:3]=[C:4]([CH3:8])[CH:5]=[CH:6][CH:7]=1.[CH2:9]1[CH2:19][CH2:18]N2C(=NCCC2)CC1.[CH3:20][SiH:21](Cl)[CH3:22].[CH2:24](Cl)Cl>CCOC(C)=O>[CH3:18][C:19]([Si:21]([CH3:22])([CH3:20])[O:1][C:2]1[CH:3]=[C:4]([CH3:8])[CH:5]=[CH:6][CH:7]=1)([CH3:9])[CH3:24] | 1 |
C(C)(C)(C)C1=CC=C(C=C1)C1=C(NC2=CC=CC=C12)C(=O)OCC.CS(=O)(=O)OCC=1C=C(C=CC1)C1=CC=C(C=C1)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=CC(=CC=C1)CN1C(=C(C2=CC=CC=C12)C1=CC=C(C=C1)C(C)(C)C)C(=O)OCC | 5 |
COC1=C(C=CC(=C1)N1C(C2=C(CC1)N=C(S2)C2=CC=C(C=C2)OC)=O)OC(C(C)(C)C)=O>>OC1=C(C=C(C=C1)N1C(C2=C(CC1)N=C(S2)C2=CC=C(C=C2)OC)=O)OC | 5 |
[NH2:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][C:10]([Cl:13])=[C:9]([Cl:14])[C:8]=2[Cl:15])[N:5]=[CH:4][C:3]=1[C:16]#[N:17].O.C1(C)C=CC(S(O)(=O)=O)=CC=1.[CH2:30]([O:32][CH:33](OCC)OCC)[CH3:31]>>[C:16]([C:3]1[CH:4]=[N:5][N:6]([C:7]2[CH:12]=[CH:11][C:10]([Cl:13])=[C:9]([Cl:14])[C:8]=2[Cl:15])[C:2]=1[N:1]=[CH:33][O:32][CH2:30][CH3:31])#[N:17] | 1 |
[C:1]([O:7]C)(=[O:6])[CH2:2][C:3]([CH3:5])=[O:4].[CH3:9][O-].[Na+].[Na].[CH2:13](Br)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19]>CO>[C:1]([O:7][CH:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[CH2:13][CH3:9])(=[O:6])[CH2:2][C:3]([CH3:5])=[O:4] | 1 |
C(C)(C)(C)N.O1[C@H](C1)CO>O>C(C)(C)(C)NC[C@@H](CO)O | 3 |
C(C)(C)(C)OC(NC(C)C(N)=O)=O>O.C1CCCO1.c1ccncc1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>C(C)(C)(C)OC(NC(C)C#N)=O | 3 |
N(=[N+]=[N-])CCCC(=O)N1CCCC2=CC=CC=C12>O.C(C)OCC.[H-].[Al+3].[Li+].[H-].[H-].[H-]>NCCCCN1CCCC2=CC=CC=C12 | 3 |
C1(CCCC1)C(C)NC1=CC=C(C(=O)C(C(=O)OC(C)(C)C)C(=O)OCC)C=C1>C(=O)(C(F)(F)F)O.[OH-].[K+]>C1(CCCC1)C(C)NC1=CC=C(C(=O)CC(=O)OCC)C=C1 | 3 |
C(C)(=O)N1[C@H](C[C@H](C2=CC(=CC=C12)Br)NC(OC(C)C)=O)C.C(C)(=O)N1[C@H](C[C@H](C2=CC(=CC=C12)C#C[Si](C)(C)C)NC(OC(C)(C)C)=O)C.Cl.N1(CCCCC1)CC1=CC=C(C=C1)B(O)O>>C(C)(=O)N1[C@H](C[C@H](C2=CC(=CC=C12)C1=CC=C(C=C1)CN1CCCCC1)NC(OC(C)C)=O)C | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)ON.COC([C@H](CC1=CC=C(C=C1)OCC1=C(C=C(C=C1)F)F)NC(=O)OC(C)(C)C)=O>C1CCCO1.C(Cl)(Cl)(Cl)[H].CO[H].[OH-].[Na+].Cl.CN(CCCN=C=NCC)C>C(C)(C)(C)OC(=O)N[C@H](C(=O)NOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)CC1=CC=C(C=C1)OCC1=C(C=C(C=C1)F)F | 3 |
CCCCCCCCCCCCCCCC(=O)Cl>C(Cl)(Cl)(Cl)[H].C(O)CN>C(CCCCCCCCCCCCCCC)(=O)NCCO | 3 |
C(C)(C)(C)N.NC1=C(C=C(C(=O)O)C=C1)Cl>>NC1=C(C=C(C(=O)NC(C)(C)C)C=C1)Cl | 5 |
C(#C)C=1C(=NC(=CC1)N)N.O1C(=CC=C1)CCC1=CC=C(C=C1)CC(=NO)Cl>C1CCCO1.CCN(CC)CC>O1C(=CC=C1)CCC1=CC=C(CC2=NOC(=C2)C=2C(=NC(=CC2)N)N)C=C1 | 3 |
Br[CH2:2][C:3]([C:5]1[CH:6]=[CH:7][C:8]2[O:12][CH2:11][CH2:10][C:9]=2[CH:13]=1)=[O:4].[Cl:14][C:15]1[CH:23]=[C:22]2[C:18]([C:19]([CH2:36][C:37]([O:39][CH3:40])=[O:38])=C(C(C3N=CC4CCCCC=4C=3)=O)[NH:21]2)=[CH:17][CH:16]=1>>[Cl:14][C:15]1[CH:23]=[C:22]2[C:18]([C:19]([CH2:36][C:37]([O:39][CH3:40])=[O:38])=[C:2]([C:3]([C:5]3[CH:6]=[CH:7][C:8]4[O:12][CH2:11][CH2:10][C:9]=4[CH:13]=3)=[O:4])[NH:21]2)=[CH:17][CH:16]=1 | 1 |
C[O:2][C:3]([C:5]1[N:6]=[C:7]([O:17][CH3:18])[C:8]2[C:13]([CH:14]=1)=[CH:12][C:11]([O:15][CH3:16])=[CH:10][CH:9]=2)=[O:4].[OH-].[Na+]>CO>[CH3:18][O:17][C:7]1[C:8]2[C:13](=[CH:12][C:11]([O:15][CH3:16])=[CH:10][CH:9]=2)[CH:14]=[C:5]([C:3]([OH:4])=[O:2])[N:6]=1 | 1 |
[CH3:1][N:2]1[C:6]([C:7]2[S:8][C:9]3[N:10]=[CH:11][N:12]=[C:13](SC)[C:14]=3[N:15]=2)=[C:5]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[N:4]=[CH:3]1.[Li+].[CH3:25][CH:26]([N-:28][CH:29]([CH3:31])[CH3:30])[CH3:27].CN([CH:35]=[O:36])C.O>C1COCC1>[CH:26]([N:28]([CH:29]([CH3:31])[CH3:30])[C:13]1[C:14]2[N:15]=[C:7]([C:6]3[N:2]([CH3:1])[CH:3]=[N:4][C:5]=3[C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=3)[S:8][C:9]=2[N:10]=[C:11]([CH:35]=[O:36])[N:12]=1)([CH3:27])[CH3:25] | 1 |
C(C)(=O)NC1=C2CCC(N(C2=CC=C1)CCCN1CCN(CC1)C1=CC(=CC=C1)Cl)=O>Cl>Cl.Cl.NC1=C2CCC(N(C2=CC=C1)CCCN1CCN(CC1)C1=CC(=CC=C1)Cl)=O | 3 |
FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.ClC1=CC=2C3=C(C(=NC2C(=C1C1=C2C=NNC2=CC(=C1C)C)F)N1CC(C1)N(C)CC)C=NN3[C@@H]3C[C@H](NCC3)CC#N>N(C)(C)C=O.Cl.C(C)(C)N(C(C)C)CC.FC(C(=O)O)=C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=CC=2C3=C(C(=NC2C(=C1C1=C2C=NNC2=CC(=C1C)C)F)N1CC(C1)N(C)CC)C=NN3[C@@H]3C[C@H](N(CC3)C(C(=C)F)=O)CC#N | 3 |
[NH2:1][CH2:2][C:3]1([CH2:9][C:10]([OH:12])=[O:11])[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1.[OH2:13].C(N(C(C)C)CC)(C)C.[ClH:23].O1C[CH2:28][O:27][CH2:26]C1>C(OCC)(=O)C>[Cl:23][CH2:26][O:27][C:28]([NH:1][CH2:2][C:3]1([CH2:9][C:10]([OH:12])=[O:11])[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1)=[O:13] | 1 |
COC[C:4]([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:17]([O:18][C:19]3[CH:24]=[CH:23][C:22]([NH:25][C:26]4[CH:31]=[CH:30][C:29]([CH3:32])=[CH:28][N:27]=4)=[CH:21][CH:20]=3)=[N:16][CH:15]=[CH:14][N:13]=2)[CH2:8][CH2:7]1)=[O:5].C(N(C(C)C)CC)(C)C.Cl[C:43](OC)=[O:44]>C(Cl)Cl>[CH3:32][C:29]1[CH:30]=[CH:31][C:26]([NH:25][C:22]2[CH:23]=[CH:24][C:19]([O:18][C:17]3[C:12]([CH:9]4[CH2:10][CH2:11][N:6]([C:4]([O:44][CH3:43])=[O:5])[CH2:7][CH2:8]4)=[N:13][CH:14]=[CH:15][N:16]=3)=[CH:20][CH:21]=2)=[N:27][CH:28]=1 | 1 |
[NH2:1][CH2:2][CH:3]([C:5]1[CH:6]=[C:7]([CH:13]=[C:14]([F:16])[CH:15]=1)[NH:8][S:9]([CH3:12])(=[O:11])=[O:10])[OH:4].[ClH:17]>>[ClH:17].[NH2:1][CH2:2][CH:3]([C:5]1[CH:6]=[C:7]([CH:13]=[C:14]([F:16])[CH:15]=1)[NH:8][S:9]([CH3:12])(=[O:10])=[O:11])[OH:4] | 1 |
FC1=CC=C(C=C1)N1N=C2C=C(C(=CC2=C1C(=O)NC)B1OC(C(O1)(C)C)(C)C)N(S(=O)(=O)C)C.ClC=1C=CC=2N=CN3C(=CC=4C(=CC=CC34)F)C2N1>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.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>FC1=CC=C(C=C1)N1N=C2C=C(C(=CC2=C1C(=O)NC)C=1C=CC=2N=CN3C(=CC=4C(=CC=CC34)F)C2N1)N(S(=O)(=O)C)C | 3 |
C(C)(C)(C)OC(=O)N1CSC([C@H]1C(NCC=C)=O)(C)C>O=S(=O)(O)C.C(C)(=O)OCC>C(C=C)NC(=O)[C@H]1NCSC1(C)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CCCOC1=CC(=C(C=C1)C(=O)OC)C>O.CO[H].O[Li].O>C(C)(C)(C)OC(=O)N1CCC(CC1)CCCOC1=CC(=C(C=C1)C(=O)O)C | 3 |
OC1=C(C=NC=C1)NC(C1=CC=C(C=C1)[N+](=O)[O-])=O>>[N+](=O)([O-])C1=CC=C(C=C1)C=1SC2=C(C=NC=C2)N1 | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[Cl:10])[CH:5]=O.[CH3:11][S:12]([CH2:15][C:16](=O)[CH3:17])(=[O:14])=[O:13].[NH2:19][C:20]1[CH2:24][CH2:23][C:22](=[O:25])[CH:21]=1>C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH:5]2[C:15]([S:12]([CH3:11])(=[O:14])=[O:13])=[C:16]([CH3:17])[NH:19][C:20]3[CH2:24][CH2:23][C:22](=[O:25])[C:21]2=3)[CH:7]=[CH:8][C:9]=1[Cl:10] | 1 |
C(CC)O.OC=1C=C(C=CC(=O)O)C=CC1O>ClS(Cl)=O>C(CC)OC(C=CC1=CC(=C(C=C1)O)O)=O | 3 |
BrC1=C(C=C(C=C1)F)C.ClC=1C=C(C(=CC1)C)O>[Cu]I.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].Cl.CN(CC(=O)O)C>ClC1=CC(=C(C=C1)C)OC1=C(C=C(C=C1)F)C | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:10]2[CH:15]=[CH:14][C:13]([I:16])=[CH:12][CH:11]=2)=O)=[CH:4][CH:3]=1.[CH3:17][C:18]1([CH3:27])[CH2:23][C:22]([CH3:25])([CH3:24])[CH2:21][C:20](=O)[CH2:19]1.C([O-])([O-])=O.[K+].[K+]>C1COCC1.[Zn].Cl[Ti](Cl)(Cl)Cl>[I:16][C:13]1[CH:14]=[CH:15][C:10]([C:8](=[C:20]2[CH2:21][C:22]([CH3:25])([CH3:24])[CH2:23][C:18]([CH3:27])([CH3:17])[CH2:19]2)[C:5]2[CH:6]=[CH:7][C:2]([OH:1])=[CH:3][CH:4]=2)=[CH:11][CH:12]=1 | 1 |
C(=C)(C)C1=C(C=C2C3CCCCC3C(CC2=C1)C1=CC=C(C=C1)OC)OC>>C(C)(C)C1=C(C=C2C3CCCCC3C(CC2=C1)C1=CC=C(C=C1)OC)OC | 5 |
Cl[C:2]1[C:17]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=2)=[CH:16][C:5]([C:6]([NH:8][C@@H:9]2[CH2:14][CH2:13][CH2:12][CH2:11][C@H:10]2[OH:15])=[O:7])=[CH:4][N:3]=1.[C:25]([C:27]1([OH:32])[CH2:31][CH2:30][CH2:29][CH2:28]1)#[CH:26]>>[Cl:24][C:21]1[CH:22]=[CH:23][C:18]([C:17]2[C:2]([C:26]#[C:25][C:27]3([OH:32])[CH2:31][CH2:30][CH2:29][CH2:28]3)=[N:3][CH:4]=[C:5]([CH:16]=2)[C:6]([NH:8][C@@H:9]2[CH2:14][CH2:13][CH2:12][CH2:11][C@H:10]2[OH:15])=[O:7])=[CH:19][CH:20]=1 | 1 |
NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C=2C=NC(=CC2)OC([2H])([2H])F)N1C1=CC=C(C=C1)CO>ClCCl.ClS(Cl)=O>ClCC1=CC=C(C=C1)N1C(=NC=2C1=NC(=CC2)C=2C=NC(=CC2)OC([2H])([2H])F)C=2C(=NC=CC2)N | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)C=1N=CN(C1)COCC[Si](C)(C)C>N(C)(C)C=O.C(C)(C)[N-]C(C)C.[Li+]>[N+](=O)([O-])C1=CC=C(C=C1)C=1N=C(N(C1)COCC[Si](C)(C)C)C=O | 3 |
[OH-].[Na+].C([O:5][C:6](=[O:38])[C:7]1[CH:12]=[CH:11][C:10]([O:13][C:14]2[CH:19]=[CH:18][C:17]([C:20]3[CH:25]=[C:24]([NH:26][C:27]4[N:32]=[C:31]([C:33]([F:36])([F:35])[F:34])[CH:30]=[CH:29][N:28]=4)[CH:23]=[C:22]([CH3:37])[CH:21]=3)=[CH:16][N:15]=2)=[CH:9][CH:8]=1)C.C1COCC1.Cl>CO>[CH3:37][C:22]1[CH:21]=[C:20]([C:17]2[CH:18]=[CH:19][C:14]([O:13][C:10]3[CH:11]=[CH:12][C:7]([C:6]([OH:38])=[O:5])=[CH:8][CH:9]=3)=[N:15][CH:16]=2)[CH:25]=[C:24]([NH:26][C:27]2[N:32]=[C:31]([C:33]([F:36])([F:34])[F:35])[CH:30]=[CH:29][N:28]=2)[CH:23]=1 | 1 |
C1(CC1)S(=O)(=O)C=1C=C2CNC(C2=CC1)C(=O)NC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O>ClCCl.C(C)(=O)O.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(=O)N1C(C2=CC=C(C=C2C1)S(=O)(=O)C1CC1)C(=O)NC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O | 3 |
FC=1C(=CC(=NC1)OC)C1=C(C(=O)OC)C=C(C=C1)CO>>FC=1C(=CC(=NC1)OC)C1=C(C=C(C=C1)CO)C(C(C)(C)C)=O | 5 |
[CH2:1]([O:8][C:9]1[C:14](=[O:15])[N:13]=[C:12]([CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2Br)[N:11]2[CH2:24][CH2:25][N:26]([CH:29]([CH3:31])[CH3:30])[C:27](=[O:28])[C:10]=12)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:32][C:33]1[CH:34]=[C:35](B(O)O)[CH:36]=[CH:37][C:38]=1[F:39].C(=O)([O-])[O-].[Na+].[Na+]>C1(C)C=CC=CC=1.C(O)C.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>[CH2:1]([O:8][C:9]1[C:14](=[O:15])[N:13]=[C:12]([CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2[C:36]2[CH:35]=[CH:34][C:33]([F:32])=[C:38]([F:39])[CH:37]=2)[N:11]2[CH2:24][CH2:25][N:26]([CH:29]([CH3:31])[CH3:30])[C:27](=[O:28])[C:10]=12)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
COC=1C=CC2=C(NC(S2)(C)C)C1>[Na+].[BH4-].C(C)(C)O.C(C)(=O)O.COCCOC>C(C)(C)NC1=C(C=C(C=C1)OC)S | 3 |
[C:1]([C:4]1[CH:26]=[CH:25][C:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][C:13]2[CH:23]=[CH:22][C:16]([C:17]([O:19]CC)=[O:18])=[CH:15][C:14]=2[Br:24])=[C:6]([CH2:27][CH2:28][CH3:29])[C:5]=1[OH:30])(=[O:3])[CH3:2].[OH-].[Na+]>C(O)C>[C:1]([C:4]1[CH:26]=[CH:25][C:7]([O:8][CH2:9][CH2:10][CH2:11][O:12][C:13]2[CH:23]=[CH:22][C:16]([C:17]([OH:19])=[O:18])=[CH:15][C:14]=2[Br:24])=[C:6]([CH2:27][CH2:28][CH3:29])[C:5]=1[OH:30])(=[O:3])[CH3:2] | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10](Cl)(=[O:12])=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].[C:14]1([CH2:20][NH2:21])[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>>[CH2:20]([NH:21][S:10]([C:7]1[CH:8]=[CH:9][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=1)(=[O:12])=[O:11])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 2 |
ClCCS(=O)(=O)Cl.C(C=C)[C@H]1N(C[C@@H](NC1)COCC1=CC=CC=C1)CC1=CC=CC=C1>ClCCl.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+]>C(C=C)[C@H]1N(C[C@@H](N(C1)S(=O)(=O)C=C)COCC1=CC=CC=C1)CC1=CC=CC=C1 | 3 |
ClC=1C(=NC(=NC1)SC)C(=O)Cl>CO[H].O1CCOCC1.N>ClC=1C(=NC(=NC1)SC)C(=O)N | 3 |
[N+:1]([C:4]1[CH:12]=[CH:11][CH:10]=[C:9]2[C:5]=1[CH:6]=[N:7][NH:8]2)([O-:3])=[O:2].[OH-].[K+].Br[CH2:16][C:17]1[CH:22]=[CH:21][C:20]([F:23])=[CH:19][C:18]=1[F:24]>CC(C)=O>[F:24][C:18]1[CH:19]=[C:20]([F:23])[CH:21]=[CH:22][C:17]=1[CH2:16][N:8]1[C:9]2[C:5](=[C:4]([N+:1]([O-:3])=[O:2])[CH:12]=[CH:11][CH:10]=2)[CH:6]=[N:7]1 | 1 |
CS(=O)(=O)Cl.ClC=1C(=CC2=C(C(=NO2)N)C1)COC1=CC(=C(C=C1)Cl)F>>ClC=1C(=CC2=C(C(=NO2)NS(=O)(=O)C)C1)COC1=CC(=C(C=C1)Cl)F | 5 |
[C:1]([O:5][C:6](=[O:18])[NH:7][CH2:8][CH:9]([NH2:17])[C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([Cl:16])[CH:11]=1)([CH3:4])([CH3:3])[CH3:2].CO>C(=O)=O>[C:1]([O:5][C:6](=[O:18])[NH:7][CH2:8][C@H:9]([NH2:17])[C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([Cl:16])[CH:11]=1)([CH3:4])([CH3:2])[CH3:3] | 2 |
C(C)(C)C=1C(=CC(=C(C1)C1=NN=C(N1C1=CC=C(C=C1)OC)S(=O)(=O)C)OCOC)OCOC>[OH-].[Na+].CS(=O)C.[Cl-].[NH4+]>OC1=C(C=C(C(=C1)O)C(C)C)C=1N(C(NN1)=O)C1=CC=C(C=C1)OC | 3 |
FC(C1=CC=C(C=C1)C=1C(=CC=CC1)C(=O)Cl)(F)F.N1=C(C=CC=C1)CCC1=CC=C(C=N1)N>C1CCCO1.CCN(CC)CC>N1=C(C=CC=C1)CCC1=CC=C(C=N1)NC(=O)C=1C(=CC=CC1)C1=CC=C(C=C1)C(F)(F)F | 3 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[C:11]1[CH:16]=[CH:15][C:14]([NH:17][C:18](=[O:39])[CH:19]([O:26][C:27]2[CH:32]=[CH:31][CH:30]=[C:29]([C:33]3[N:37]=C(C)O[N:34]=3)[CH:28]=2)[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[CH:13][CH:12]=1)(=[O:4])=[O:3].O.[C:41]([OH:44])(=[O:43])[CH3:42]>CO>[C:41]([OH:44])(=[O:43])[CH3:42].[C:33]([C:29]1[CH:28]=[C:27]([CH:32]=[CH:31][CH:30]=1)[O:26][CH:19]([C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:18]([NH:17][C:14]1[CH:13]=[CH:12][C:11]([C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[S:2]([CH3:1])(=[O:4])=[O:3])=[CH:16][CH:15]=1)=[O:39])(=[NH:34])[NH2:37] | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[C:8]([C:10]3[C:11](=[O:33])[N:12](COCC[Si](C)(C)C)[N:13]=[C:14]([C:16]4[CH:21]=[C:20]([CH3:22])[C:19]([OH:23])=[C:18]([CH3:24])[CH:17]=4)[CH:15]=3)[N:7](COCC[Si](C)(C)C)[C:6]=2[CH:42]=1.FC(F)(F)C(O)=O.[OH-].[Na+].Cl>ClCCl.CO.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[C:8]([C:10]3[C:11](=[O:33])[NH:12][N:13]=[C:14]([C:16]4[CH:21]=[C:20]([CH3:22])[C:19]([OH:23])=[C:18]([CH3:24])[CH:17]=4)[CH:15]=3)[NH:7][C:6]=2[CH:42]=1 | 1 |
O1C=C(C=C1)C(=O)O.NCCCOC1=CC=C(C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)C2=CC3=C(OCO3)C=C2)O)NC(O[C@H]2CO[C@H]3OCC[C@H]32)=O)C=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>O1COC2=C1C=CC(=C2)S(=O)(=O)N(C[C@H]([C@H](CC2=CC=C(C=C2)OCCCNC(=O)C2=COC=C2)NC(O[C@H]2CO[C@H]1OCC[C@H]12)=O)O)CC(C)C | 3 |
Br[CH2:2][C:3]1[CH:12]=[CH:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=1.[CH2:13]([O:16][C:17]1[C:24]([OH:25])=[CH:23][CH:22]=[CH:21][C:18]=1[CH:19]=[O:20])[CH:14]=[CH2:15]>>[CH2:13]([O:16][C:17]1[C:24]([O:25][CH2:2][C:3]2[CH:12]=[CH:11][C:10]3[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=3)[CH:4]=2)=[CH:23][CH:22]=[CH:21][C:18]=1[CH:19]=[O:20])[CH:14]=[CH2:15] | 1 |
[N:1]1([C:6]2([C:16]#N)[CH2:15][CH2:14][C:9]3([O:13][CH2:12][CH2:11][O:10]3)[CH2:8][CH2:7]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.C([Mg]Cl)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.[Cl-].[NH4+]>C1COCC1>[CH2:16]([C:6]1([N:1]2[CH2:5][CH2:4][CH2:3][CH2:2]2)[CH2:15][CH2:14][C:9]2([O:13][CH2:12][CH2:11][O:10]2)[CH2:8][CH2:7]1)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1 | 1 |
S([O-])([O-])=O.[Na+].[Na+].[C:7](=O)([O-])O.[Na+].[C:12]([N:15]1[CH2:21][CH2:20][C:19]2[CH:22]=[CH:23][C:24]([S:26](Cl)(=[O:28])=[O:27])=[CH:25][C:18]=2[CH2:17][CH2:16]1)(=[O:14])[CH3:13].CI>O.O1CCCC1>[C:12]([N:15]1[CH2:21][CH2:20][C:19]2[CH:22]=[CH:23][C:24]([S:26]([CH3:7])(=[O:28])=[O:27])=[CH:25][C:18]=2[CH2:17][CH2:16]1)(=[O:14])[CH3:13] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:20]=[CH2:21])[CH:5]=[C:6]2[C:10]=1[C:9](=[O:11])[N:8]([CH2:12][C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=1)[CH2:7]2.[H][H].CCCCCC.C(OCC)(=O)C>[Pd].C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH2:20][CH3:21])[CH:5]=[C:6]2[C:10]=1[C:9](=[O:11])[N:8]([CH2:12][C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=1)[CH2:7]2 | 1 |
COC1=CC=2CN(CCSC2C=N1)CC=1C=C(C(=O)OC)C=CC1>>COC1=CC=2CN(CCSC2C=N1)CC=1C=C(C(=O)O)C=CC1 | 5 |
NC1=CC=CC=C1.C(#N)/C=C/S(=O)(=O)C1=CC=C(C=C1)C1(CCOCC1)C(=O)O>>C1(=CC=CC=C1)NC(=O)C1(CCOCC1)C1=CC=C(C=C1)S(=O)(=O)\C=C\C#N | 5 |
N1N=C(C=C1)CO.ClCC1=NNC=C1>ClS(Cl)=O.[Na].C(CO)O>OCCOCC1=NNC=C1 | 3 |
COC1=CC=C(CN)C=C1.CC1=C2N(C(NC1=O)=O)C=C(S2)C(=O)O>N(C)(C)C=O.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>COC1=CC=C(CNC(=O)C2=CN3C(NC(C(=C3S2)C)=O)=O)C=C1 | 3 |
[F:1][C:2]([F:12])([F:11])[C:3](=[O:10])[CH2:4][C:5](OCC)=[O:6].OC(C(F)(F)F)CC(OCC)=O.[BH4-].[Na+].Cl>CCOCC>[OH:10][CH:3]([CH2:4][CH2:5][OH:6])[C:2]([F:12])([F:11])[F:1] | 1 |
C(C)OC(CF)=CC1=CC=C(C=C1)OC>O.C(C)OCC.Cl>FCC(CC1=CC=C(C=C1)OC)=O | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH:7]=[C:8]2[C:13](=[O:14])[CH:12]3[CH2:15][CH2:16][N:9]2[CH2:10][CH2:11]3)[CH:2]=1>[Pd].CO>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH2:7][CH:8]2[C:13](=[O:14])[CH:12]3[CH2:11][CH2:10][N:9]2[CH2:16][CH2:15]3)[CH:2]=1 | 1 |
C(C)(C)(C)C1=C(C(=C2CC(C(C2=C1)=O)C)C1=CC=C(C=C1)C(C)(C)C)OC>>C(C)(C)(C)C=1C=C2C=C(CC2=C(C1OC)C1=CC=C(C=C1)C(C)(C)C)C | 5 |
C1([Si](OC)(OC)OC)C=CC=CC=1.C(O[Si](OCC)(OCC)OCC)C.C[Si](OCC)(OCC)OCC.[C:38]([O-:45])(=[O:44])/[CH:39]=[CH:40]\[C:41]([O-:43])=[O:42].CO[Si](CCC[NH+:56](C)C)(OC)OC.CO[Si](CCC[NH+:69](C)C)(OC)OC.Cl.C(OCC(O)C)C>O.CC(C)=O.CO.C(O)C>[C:38]([O-:45])(=[O:44])/[CH:39]=[CH:40]\[C:41]([O-:43])=[O:42].[NH4+:56].[NH4+:69] | 1 |
O1C[C@@H](CC2=CC=CC=C12)NC(C(F)(F)F)=O>C(C)(=O)O.S(=O)(=O)(Cl)Cl>ClC=1C=C2C[C@H](COC2=CC1)NC(C(F)(F)F)=O | 3 |
N(=[N+]=[N-])C1CCC(CC1)C1=C(C=NN1C)NC(=O)C=1N=C(SC1NC(OC(C)(C)C)=O)C1=C(C=CC=C1F)F>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>NC1CCC(CC1)C1=C(C=NN1C)NC(=O)C=1N=C(SC1NC(OC(C)(C)C)=O)C1=C(C=CC=C1F)F | 3 |
[OH-].[Na+].[CH2:3]([O:7][C:8]1[CH:13]=[C:12]([CH2:14][CH2:15][C:16]([O:18]C)=[O:17])[CH:11]=[CH:10][C:9]=1[C:20]1[CH:25]=[CH:24][CH:23]=[C:22]([CH2:26][N:27]([C:29](=[O:38])[C:30]2[CH:35]=[CH:34][CH:33]=[C:32]([O:36][CH3:37])[CH:31]=2)[CH3:28])[CH:21]=1)[CH2:4][CH2:5][CH3:6]>CO>[CH2:3]([O:7][C:8]1[CH:13]=[C:12]([CH2:14][CH2:15][C:16]([OH:18])=[O:17])[CH:11]=[CH:10][C:9]=1[C:20]1[CH:25]=[CH:24][CH:23]=[C:22]([CH2:26][N:27]([C:29](=[O:38])[C:30]2[CH:35]=[CH:34][CH:33]=[C:32]([O:36][CH3:37])[CH:31]=2)[CH3:28])[CH:21]=1)[CH2:4][CH2:5][CH3:6] | 2 |
Cl.ClC(CN(C)C)C1=CC=C(C=C1)F.Cl.N1(CCNCC1)C1=NC=NC=2NCC(NC12)=O>>CN(CC(C1=CC=C(C=C1)F)N1CCN(CC1)C1=NC=NC=2NCC(NC12)=O)C | 5 |
C(OCC)(OCC)(OCC)C.ClC1=C(C=C(C=C1)\C=C\C(CCCCC1=NC=2NCCCC2C=C1)O)C(F)(F)F>C(CC)(=O)O>ClC1=C(C=C(C=C1)C(CC(=O)O)CCCCCCC1=NC=2NCCCC2C=C1)C(F)(F)F | 3 |
[OH:1][N:2]=[C:3]([C:5]1[S:9][C:8]([O:10][C:11]2[CH:12]=[N:13][C:14]([O:17][CH:18]([CH3:20])[CH3:19])=[CH:15][CH:16]=2)=[N:7][CH:6]=1)[NH2:4].[C:21]([NH:28][C@H:29]([C:31](O)=[O:32])[CH3:30])([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22].C(N=C=NCCCN(C)C)C>ClCCl>[NH2:4]/[C:3](=[N:2]\[O:1][C:31](=[O:32])[CH:29]([NH:28][C:21](=[O:22])[O:23][C:24]([CH3:26])([CH3:25])[CH3:27])[CH3:30])/[C:5]1[S:9][C:8]([O:10][C:11]2[CH:12]=[N:13][C:14]([O:17][CH:18]([CH3:20])[CH3:19])=[CH:15][CH:16]=2)=[N:7][CH:6]=1 | 1 |
[CH2:1]([N:3]([CH2:23][CH3:24])[CH2:4][CH2:5][CH2:6][NH:7][CH:8]1[C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][C:13]=2[CH2:12][S:11][C:10]2[CH:19]=[CH:20][CH:21]=[CH:22][C:9]1=2)[CH3:2].O1CCCC1.Cl[O-].[Na+]>O>[CH2:23]([N:3]([CH2:1][CH3:2])[CH2:4][CH2:5][CH2:6][N:7]=[C:8]1[C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][C:13]=2[CH2:12][S:11][C:10]2[CH:19]=[CH:20][CH:21]=[CH:22][C:9]1=2)[CH3:24] | 1 |
[CH3:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([CH2:11][CH2:12][N:13]3[CH2:18][CH2:17][NH:16][CH:15]([CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])[C:14]3=[O:25])=[CH:7][NH:8]2)=[CH:4][CH:3]=1.[C:26](Cl)(=[O:33])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>>[C:26]([N:16]1[CH2:17][CH2:18][N:13]([CH2:12][CH2:11][C:6]2[C:5]3[C:9](=[CH:10][C:2]([CH3:1])=[CH:3][CH:4]=3)[NH:8][CH:7]=2)[C:14](=[O:25])[CH:15]1[CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])(=[O:33])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1 | 1 |
[CH2:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][CH:2]1[C@H:10]1[NH:15][C:14](=[O:16])[C@@H:13]([CH:17]([CH2:20][CH3:21])[CH2:18][CH3:19])[N:12]([CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[S:29]C(C)(C)C)[C:11]1=[O:34].[N+](C1C=CC=CC=1SCl)([O-])=O>C(O)(=O)C.CN(C)C=O>[CH2:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][CH:2]1[C@H:10]1[NH:15][C:14](=[O:16])[C@@H:13]([CH:17]([CH2:20][CH3:21])[CH2:18][CH3:19])[N:12]([CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[SH:29])[C:11]1=[O:34] | 2 |
CC1(OC(=O)CC(=O)O1)C.Cl.N1=CC=C(C=C1)CC(=O)O>ClCCl.c1ccncc1.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C)OC(CC(CC1=CC=NC=C1)=O)=O | 3 |
C1COCCN1.BrC1=CC(=C(C=O)C(=C1)F)F>C(Cl)(Cl)(Cl)[H].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>BrC1=CC(=C(CN2CCOCC2)C(=C1)F)F | 3 |
[N+:1]([C:4]1[CH:11]=[C:8]([C:9]#[N:10])[C:7]([NH2:12])=[CH:6][CH:5]=1)([O-:3])=[O:2].CO[CH:15](OC)[N:16]([CH3:18])[CH3:17]>O1CCOCC1>[C:9]([C:8]1[CH:11]=[C:4]([N+:1]([O-:3])=[O:2])[CH:5]=[CH:6][C:7]=1[N:12]=[CH:15][N:16]([CH3:18])[CH3:17])#[N:10] | 1 |
[CH3:1][C:2]1([CH3:21])[NH:6][C:5](=[O:7])[N:4]([C:8]([C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH:13]=[CH:12][CH:11]=2)=[O:9])[C:3]1=[O:20].Br[CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25].C(=O)([O-])[O-].[K+].[K+].O>CN(C=O)C.C(OCC)(=O)C>[CH3:1][C:2]1([CH3:21])[N:6]([CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[C:5](=[O:7])[N:4]([C:8]([C:10]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH:13]=[CH:12][CH:11]=2)=[O:9])[C:3]1=[O:20] | 1 |
NCCOCCOCC(=O)O.OC1(C(OCC(C1O)O)=O)CO>>OC(C(=O)NCCOCCOCC(=O)O)C(C(C(CO)O)O)O | 5 |
[O:1]=[C:2]1[NH:5][C@H:4]([C:6]([OH:8])=O)[CH2:3]1.C1CCC(N=C=NC2CCCCC2)CC1.FC1C(O)=C(F)C(F)=C(F)C=1F.[NH2:36][C@H:37]([C:44]([N:46]1[CH2:53][CH2:52][CH2:51][C@H:47]1[C:48]([NH2:50])=[O:49])=[O:45])[CH2:38][C:39]1[N:43]=[CH:42][NH:41][CH:40]=1>O1CCOCC1.CN(C=O)C>[O:1]=[C:2]1[NH:5][C@H:4]([C:6]([NH:36][C@H:37]([C:44]([N:46]2[CH2:53][CH2:52][CH2:51][C@H:47]2[C:48]([NH2:50])=[O:49])=[O:45])[CH2:38][C:39]2[N:43]=[CH:42][NH:41][CH:40]=2)=[O:8])[CH2:3]1 | 2 |
C(C)(C)(C)OC(NCCNC(C1=CC=C(C=C1)S(NC1=C(C=CC=C1)OC1=C(C=C(C=C1)Cl)Cl)(=O)=O)=O)=O>ClCCl.CCO[H]>Cl.NCCNC(C1=CC=C(C=C1)S(NC1=C(C=CC=C1)OC1=C(C=C(C=C1)Cl)Cl)(=O)=O)=O | 3 |
BrC=1C=CC(=NC1)C=O.CC=1C=C(C=C(C1)B1OC(C(O1)(C)C)(C)C)NC1=NC=CC(=N1)C(F)(F)F>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>CC=1C=C(C=C(C1)NC1=NC=CC(=N1)C(F)(F)F)C=1C=CC(=NC1)C=O | 3 |
CS(=O)(=O)Cl.NC1=CC=C(C=C1)CCC1=COC2=C1C(=CC=C2)O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O2)COC(C)=O>ClCCl.c1ccncc1>C(C)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O)OC1=CC=CC2=C1C(=CO2)CCC2=CC=C(C=C2)NS(=O)(=O)C | 3 |
COC=1C(=CC2=CN(N=C2C1)C)C1=NC2=CC=C(C=C2C=C1)C=1CCN(CC1)C(=O)OC(C)(C)C>CO[H].[Pd]>COC=1C(=CC2=CN(N=C2C1)C)C1=NC2=CC=C(C=C2C=C1)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5](B(O)O)=[CH:4][CH:3]=1.C([O-])([O-])=O.[Na+].[Na+].Br[C:18]1[CH2:23][CH2:22][C:21]([CH3:25])([CH3:24])[CH2:20][C:19]=1[CH2:26][N:27]1[CH2:44][CH2:43][N:30]2[C:31]3[C:36]([CH2:37][CH2:38][C@@H:29]2[CH2:28]1)=[CH:35][C:34]([C:39]([O:41][CH3:42])=[O:40])=[CH:33][CH:32]=3>COCCOC.O.CCO>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:18]2[CH2:23][CH2:22][C:21]([CH3:24])([CH3:25])[CH2:20][C:19]=2[CH2:26][N:27]2[CH2:44][CH2:43][N:30]3[C:31]4[C:36]([CH2:37][CH2:38][C@@H:29]3[CH2:28]2)=[CH:35][C:34]([C:39]([O:41][CH3:42])=[O:40])=[CH:33][CH:32]=4)=[CH:4][CH:3]=1 | 2 |
CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N>[Ni].C(=O)O>CC1=CC=C(C=C1)C=1C(=CC=CC1)C=O | 3 |
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