Water → N-[6-chloro-2-ethyl-1-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}phenyl)-1H-benzimidazol-5-yl]acetamide
Reaction equation
[CH3:40][C:41]([Cl:42])=[O:43].[Cl:1][c:2]1[c:3]([NH:35][S:36]([CH3:37])(=[O:38])=[O:39])[cH:4][c:5]2[c:6]([n:7](-[c:12]3[cH:13][cH:14][c:15]([CH2:18][CH2:19][NH:20][C:21](=[O:22])[NH:23][S:24](=[O:25])(=[O:26])[c:27]4[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]4)[cH:16][cH:17]3)[c:8]([CH2:10][CH3:11])[n:9]2)[cH:34]1.[OH2:44].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[Cl:1][c:2]1[c:3]([NH:35][C:41]([CH3:40])=[O:43])[cH:4][c:5]2[c:6]([n:7](-[c:12]3[cH:13][cH:14][c:15]([CH2:18][CH2:19][NH:20][C:21](=[O:22])[NH:23][S:24](=[O:25])(=[O:26])[c:27]4[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]4)[cH:16][cH:17]3)[c:8]([CH2:10][CH3:11])[n:9]2)[cH:34]1Participants
5
Sources & evidence
- ORD record
- ord-638560f7f6b445c4a99af281d3ada29a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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