Acetic Acid → N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-5-methyl-N'-{[6-(methyloxy)-3'-(1-piperazinylmethyl)-3-biphenylyl]methyl}-1,3-benzenedicarboxamide
Reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:50][CH3:51])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:30](=[O:31])[NH:32][CH2:33][c:34]3[cH:35][c:36](-[c:42]4[cH:43][c:44]([CH:48]=[O:49])[cH:45][cH:46][cH:47]4)[c:37]([O:40][CH3:41])[cH:38][cH:39]3)[cH:26][c:27]([CH3:29])[cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH2:52]1[CH2:53][NH:54][CH2:55][CH2:56][NH:57]1.[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][S:63]([CH3:64])=[O:65]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:50][CH3:51])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:30](=[O:31])[NH:32][CH2:33][c:34]3[cH:35][c:36](-[c:42]4[cH:43][c:44]([CH2:48][N:54]5[CH2:53][CH2:52][NH:57][CH2:56][CH2:55]5)[cH:45][cH:46][cH:47]4)[c:37]([O:40][CH3:41])[cH:38][cH:39]3)[cH:26][c:27]([CH3:29])[cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-5e23b8205f95447abaf74a9dc401f5d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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