Benzoic Acid → 3-(2-Fluoro-4-biphenylyl)-1-butyl benzoate
Reaction equation
[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[F:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:4][cH:5][c:6]([CH:8]([CH2:9][CH2:10][OH:11])[CH3:12])[cH:7]1.[OH2:46].[OH:19][C:20](=[O:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[F:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:4][cH:5][c:6]([CH:8]([CH2:9][CH2:10][O:11][C:20](=[O:19])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH3:12])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-24b38b96d7ce469b98363dc7f74934c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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