Water → 3-bromo-N-[1-(3-{[5-(ethylsulfonyl)-2-methoxyphenyl]amino}-1,2,4-triazin-6-yl)ethyl]benzamide
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]([CH3:9])[c:10]2[cH:11][n:12][c:13]([S:16]([CH3:17])(=[O:18])=[O:19])[n:14][n:15]2)[cH:20][cH:21][cH:22]1.[CH2:23]([CH3:24])[S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([O:35][CH3:36])[c:32]([NH2:33])[cH:34]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:37].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]([CH3:9])[c:10]2[cH:11][n:12][c:13]([NH:33][c:32]3[c:31]([O:35][CH3:36])[cH:30][cH:29][c:28]([S:25]([CH2:23][CH3:24])(=[O:26])=[O:27])[cH:34]3)[n:14][n:15]2)[cH:20][cH:21][cH:22]1Participants
6
Sources & evidence
- ORD record
- ord-184015d2fad748d59d2983333e49bc16
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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