Water → 3-[6-{4-[2,6-Dimethoxypyrimidin-4-yl]piperazin-1-yl}-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
Reaction equation
[CH3:28][O:29][c:30]1[n:31][c:32]([N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:33][c:34]([O:36][CH3:37])[n:35]1.[Cl:1][c:2]1[c:3](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:4](-[c:12]2[cH:13][c:14]([S:18](=[O:19])(=[O:20])[NH2:21])[cH:15][cH:16][cH:17]2)[n:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1.[OH2:44].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[c:2]1([N:41]2[CH2:40][CH2:39][N:38]([c:32]3[n:31][c:30]([O:29][CH3:28])[n:35][c:34]([O:36][CH3:37])[cH:33]3)[CH2:43][CH2:42]2)[c:3](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:4](-[c:12]2[cH:13][c:14]([S:18](=[O:19])(=[O:20])[NH2:21])[cH:15][cH:16][cH:17]2)[n:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-2e738db05997422f939ac89140004c7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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