Acetic Acid → 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
Reaction equation
[Br:4][CH2:5][C:6](=[O:7])[c:8]1[c:9]([C:14]([F:15])([F:16])[F:17])[cH:10][cH:11][cH:12][cH:13]1.[CH3:21][C:22](=[O:23])[OH:24].[CH3:26][CH2:27][OH:28].[Cl:18][CH2:19][Cl:20].[K:1][C:2]#[N:3].[OH2:25]>>[C:2](#[N:3])[CH2:5][C:6](=[O:7])[c:8]1[c:9]([C:14]([F:15])([F:16])[F:17])[cH:10][cH:11][cH:12][cH:13]1Participants
7
Sources & evidence
- ORD record
- ord-8b11bcdf706b42c8a59cae65ccc29535
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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