Ethanol → 7-(4-Trifluoromethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid
Reaction equation
[CH2:30]([OH:31])[CH3:32].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]3[c:14]([cH:25]2)[CH:15]=[C:16]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:17][CH2:18][O:19]3)[cH:8][cH:9]1)([F:26])[F:27].[Na+:29].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:28]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]3[c:14]([cH:25]2)[CH:15]=[C:16]([C:20](=[O:21])[OH:22])[CH2:17][CH2:18][O:19]3)[cH:8][cH:9]1)([F:26])[F:27]Participants
6
Sources & evidence
- ORD record
- ord-98f90ab569c44f3289f9bd72fb87fdd6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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