Acetic Acid → N-({6-Cyano-3'-[(4-methylhexahydro-1H-1,4-diazepin-1-yl)methyl]-3-biphenylyl}methyl)-N'-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-1,3-benzenedicarboxamide
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:17][NH:18][C:19](=[O:20])[c:21]2[cH:22][c:23]([C:27](=[O:28])[NH:29][CH2:30][c:31]3[c:32]([NH:44][CH:45]4[CH2:46][CH2:47][O:48][CH2:49][CH2:50]4)[c:33]4[c:34]([n:35][c:36]3[CH2:37][CH3:38])[n:39]([CH2:42][CH3:43])[n:40][cH:41]4)[cH:24][cH:25][cH:26]2)[cH:7][c:8]1-[c:9]1[cH:10][c:11]([CH:15]=[O:16])[cH:12][cH:13][cH:14]1.[C:59]([O:60][BH-:61]([O:62][C:63](=[O:64])[CH3:65])[O:66][C:67](=[O:68])[CH3:69])(=[O:70])[CH3:71].[C:73]([OH:74])(=[O:75])[CH3:76].[CH3:51][N:52]1[CH2:53][CH2:54][NH:55][CH2:56][CH2:57][CH2:58]1.[Cl:77][CH2:78][Cl:79].[Na+:72]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:17][NH:18][C:19](=[O:20])[c:21]2[cH:22][c:23]([C:27](=[O:28])[NH:29][CH2:30][c:31]3[c:32]([NH:44][CH:45]4[CH2:46][CH2:47][O:48][CH2:49][CH2:50]4)[c:33]4[c:34]([n:35][c:36]3[CH2:37][CH3:38])[n:39]([CH2:42][CH3:43])[n:40][cH:41]4)[cH:24][cH:25][cH:26]2)[cH:7][c:8]1-[c:9]1[cH:10][c:11]([CH2:15][N:55]2[CH2:54][CH2:53][N:52]([CH3:51])[CH2:58][CH2:57][CH2:56]2)[cH:12][cH:13][cH:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-e63bd11845ee43c198e4bcfca70e0658
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…