Ethanol → 2-(4-Fluorophenyl)-2,5-dimethylhexanoic acid
Reaction equation
[CH3:53][CH2:54][OH:55].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9](=[O:10])[NH:11][CH:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][OH:20])([CH2:21][CH2:22][CH:23]([CH3:24])[CH3:25])[CH3:26])[cH:6][cH:7]1.[F:27][c:28]1[cH:29][cH:30][c:31]([C:32]([CH3:33])([CH2:34][CH2:35][CH:37]([CH3:38])[CH3:39])[C:40](=[O:36])[NH:41][CH:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[CH2:49][OH:50])[cH:51][cH:52]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([OH:10])=[O:36])([CH2:21][CH2:22][CH:23]([CH3:24])[CH3:25])[CH3:26])[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-b06e330da26c4a7e82e14c4a62e4c8cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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