Ethanol → 7-(4-Fluorophenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid
Reaction equation
[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[CH3:30][CH2:31][OH:32].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:22]2)[CH:13]=[C:14]([C:18](=[O:19])[O:20][CH3:21])[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1.[Na+:29].[OH-:28]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:22]2)[CH:13]=[C:14]([C:18](=[O:19])[OH:20])[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-fb612d5fdd7745fbb37937131fdaf372
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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