Ethanol → Benzoic acid, 2-fluoro-4-hydroxy-, 6-ethoxy-1-(trifluoromethyl)hexyl ester
Reaction equation
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([F:27])[c:8]([C:11](=[O:12])[O:13][CH:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][O:20][CH2:21][CH3:22])[C:23]([F:24])([F:25])[F:26])[cH:9][cH:10]1.[CH3:28][CH2:29][OH:30].[NH2:31][CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[OH2:39]>>[OH:4][c:5]1[cH:6][c:7]([F:27])[c:8]([C:11](=[O:12])[O:13][CH:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][O:20][CH2:21][CH3:22])[C:23]([F:24])([F:25])[F:26])[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-95ece110c9954937b2f7152e9d96a480
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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