Acetic Acid → N-{[6-Cyano-3'-(hexahydro-1H-1,4-diazepin-1-ylmethyl)-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:65]([O:66][BH-:67]([O:68][C:69](=[O:70])[CH3:71])[O:72][C:73](=[O:74])[CH3:75])(=[O:76])[CH3:77].[C:79]([OH:80])(=[O:81])[CH3:82].[Cl:83][CH2:84][Cl:85].[N:51]1([C:58]([O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64])[CH2:52][CH2:53][NH:54][CH2:55][CH2:56][CH2:57]1.[Na+:78]>>[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:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56][CH2:57]2)[cH:12][cH:13][cH:14]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-9525034db09642f5b84a59803f69d397
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…