Ethanol → 3-[(2-Oxo-2-phenylethyl)thio]-5-(trifluoromethyl)benzoic acid
Reaction equation
[CH3:27][CH2:28][OH:29].[Cl:17][CH2:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[Na+:16].[OH-:15].[OH2:30].[SH:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1>>[S:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)[CH2:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1Participants
7
Sources & evidence
- ORD record
- ord-04ccdc2942ff4fc393b8e63cfc66bb9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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