Ethanol → 7-(4-Chlorophenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid
Reaction equation
[CH2:26]([OH:27])[CH3:28].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:23]2)[CH:13]=[C:14]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:15][CH2:16][O:17]3)[cH:6][cH:7]1.[Na+:25].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[OH-:24]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:23]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-97b9ccbc28234d3bb4d510d8e96aa230
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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