Chloride → 5-{[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-2H-pyrazole-3-carboxylic acid (2-hydroxy-2-methyl-propyl)-amide
Reaction equation
[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[Cl-:51].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:23])[c:12]2[CH2:13][NH:14][c:15]2[cH:16][c:17]([C:20](=[O:21])[OH:22])[nH:18][n:19]2)[cH:6][cH:7]1.[Na+:50].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:24].[OH:25][n:26]1[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1.[OH:44][C:45]([CH2:46][NH2:47])([CH3:48])[CH3:49]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:23])[c:12]2[CH2:13][NH:14][c:15]2[cH:16][c:17]([C:20](=[O:22])[NH:47][CH2:46][C:45]([OH:44])([CH3:48])[CH3:49])[nH:18][n:19]2)[cH:6][cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-0b9c24f9c5cd48d5b64b5595b9fd2920
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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