Water → N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-{[3'-(1-piperazinylmethyl)-3-biphenylyl]methyl}-1,4-benzenedicarboxamide
Reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:59][CH3:60])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH2:47][CH2:48][N:49]([C:52]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[CH2:50][CH2:51]5)[cH:42][cH:43][cH:44]4)[cH:36][cH:37][cH:38]3)[cH:27][cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH3:68][C:69]#[N:70].[F:61][C:62]([F:63])([F:64])[C:65]([OH:66])=[O:67].[OH2:71]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:59][CH3:60])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29](=[O:30])[NH:31][CH2:32][c:33]3[cH:34][c:35](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]5)[cH:42][cH:43][cH:44]4)[cH:36][cH:37][cH:38]3)[cH:27][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-e709bd7dc8b54f8fbca6f4f5177bbd35
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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