Acetic Acid → 4-Fluoro-5-formyl-2-(trifluoromethyl)benzonitrile
Reaction equation
[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:13]([N-:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[F:21][c:22]1[cH:23][c:24]([C:30]([F:31])([F:32])[F:33])[c:25]([C:26]#[N:27])[cH:28][cH:29]1.[Li+:20].[O:34]1[CH2:35][CH2:38][CH2:37][CH2:36]1>>[F:21][c:22]1[cH:23][c:24]([C:30]([F:31])([F:32])[F:33])[c:25]([C:26]#[N:27])[cH:28][c:29]1[CH:35]=[O:34]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-3af4a63909664250b4c6abdfb78dcbaf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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