Hydrochloric Acid → 1-(4-fluoro-phenyl)-5-formyl-4-isopropyl-1H-pyrazole-3-carboxylic acid benzylamide
Reaction equation
[CH2:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[NH2:51].[CH3:22][N:23]([CH3:24])[CH2:25][CH2:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH3:32].[Cl:52][CH2:53][Cl:54].[ClH:21].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:18](=[O:19])[OH:20])[c:11]([CH:15]([CH3:16])[CH3:17])[c:12]2[CH:13]=[O:14])[cH:6][cH:7]1.[OH2:33].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:18](=[O:20])[NH:51][CH2:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:11]([CH:15]([CH3:16])[CH3:17])[c:12]2[CH:13]=[O:14])[cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cf9fc6ed1de54a42b251c540a45a5660
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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