Water → 1-(3-{4-[2-(tert-butylamino)pyridin-4-yl]-1-(4-methoxybenzyl)-1H-pyrazol-3-yl}phenyl)-3-[4-(trifluoromethyl)phenyl]urea
Reaction equation
[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([N:41]=[C:42]=[O:43])[cH:39][cH:40]1)([F:44])[F:45].[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]([CH2:24][c:25]3[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]3)[cH:11][c:12]2-[c:13]2[cH:14][c:15]([NH:19][C:20]([CH3:21])([CH3:22])[CH3:23])[n:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7]1.[OH2:46]>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]([CH2:24][c:25]3[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]3)[cH:11][c:12]2-[c:13]2[cH:14][c:15]([NH:19][C:20]([CH3:21])([CH3:22])[CH3:23])[n:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7]1)[C:42]([NH:41][c:38]1[cH:37][cH:36][c:35]([C:34]([F:33])([F:44])[F:45])[cH:40][cH:39]1)=[O:43]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-8c87346fc522440ba96ead1619e034e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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