Bicarbonate Ion → 5-[3,5-Bis(trifluoromethyl)phenyl]-3-(4-ethylphenyl)-5-trifluoromethyl-4,5-dihydroisoxazole
Reaction equation
[C:40](=[O:41])([O-:42])[OH:43].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([CH:7]=[N:8][OH:9])[cH:10][cH:11]1.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:12][N:13]1[C:14](=[O:15])[CH2:16][CH2:17][C:18]1=[O:19].[F:20][C:21]([c:22]1[cH:23][c:24]([C:32](=[CH2:33])[C:34]([F:35])([F:36])[F:37])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:38])[F:39].[K+:44].[OH2:50]>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([C:7]2=[N:8][O:9][C:32]([c:24]3[cH:23][c:22]([C:21]([F:20])([F:38])[F:39])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]3)([C:34]([F:35])([F:36])[F:37])[CH2:33]2)[cH:10][cH:11]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-74d08f8b617747ccbf19655e4790bb9b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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