Dimethylformamide → 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[5-fluoro-2-(3-methyl-benzo[d]isoxazol-6-yloxy)-benzyl]-urea
Reaction equation
[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[F:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:11]2[cH:12][c:13]3[c:14]([c:15]([CH3:18])[n:16][o:17]3)[cH:19][cH:20]2)[c:6]([CH2:7][NH2:8])[cH:9]1.[F:21][C:22]([F:23])([F:43])[CH2:44][O:24][C:25]([NH:26][c:27]1[n:28](-[c:36]2[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]2)[n:29][c:30]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:31]1)=[O:45].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:11]2[cH:12][c:13]3[c:14]([c:15]([CH3:18])[n:16][o:17]3)[cH:19][cH:20]2)[c:6]([CH2:7][NH:8][C:25](=[O:24])[NH:26][c:27]2[n:28](-[c:36]3[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]3)[n:29][c:30]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:31]2)[cH:9]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-6ecb56f8aca8453fa64f12e1d9527733
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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