Acetic Acid → 4-(4-Chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanal
Reaction equation
[CH3:24][OH:25].[CH3:26][C:27](=[O:28])[OH:29].[Cl:1][c:2]1[c:3]([F:21])[c:4]([O:19][CH3:20])[c:5]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])=[CH2:18])[cH:6][cH:7]1.[H:22][H:23]>>[Cl:1][c:2]1[c:3]([F:21])[c:4]([O:19][CH3:20])[c:5]([CH:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])[CH3:18])[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-2723cdf75d1b427689d02f6b6ccdf07c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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