Ethanol → 2-(2-Bromo-4-fluorophenyl)-2-methylpropanoic acid
Reaction equation
[Br:1][c:2]1[c:3]([C:9]([C:10]#[N:11])([CH3:12])[CH3:13])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[CH2:14]1[O:15][CH2:17][CH2:18][O:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24][O:25][CH2:26][CH2:27][O:28][CH2:29][CH2:30][O:16][CH2:31]1.[CH3:34][CH2:35][OH:36].[Na+:33].[OH-:32]>>[Br:1][c:2]1[c:3]([C:9]([C:10]([OH:16])=[O:32])([CH3:12])[CH3:13])[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-0c56cf7e244d4dcf835ebc1525cc82e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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