Acetic Acid → 3-(4-Amino-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole
Reaction equation
[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:24]([F:25])([F:26])[F:27])[CH2:10][C:11]([c:14]3[cH:15][c:16]([CH3:23])[c:17]([N+:20]([O-:21])=[O:22])[cH:18][cH:19]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Fe:39].[OH2:34]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:24]([F:25])([F:26])[F:27])[CH2:10][C:11]([c:14]3[cH:15][c:16]([CH3:23])[c:17]([NH2:20])[cH:18][cH:19]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-ef6d5b4caee141a5a2ea3ddbbea18575
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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