Ethanol → 7-(4-Tert-butylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[c:15]([cH:26]2)[CH:16]=[C:17]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:18][CH2:19][O:20]3)[cH:9][cH:10]1.[CH3:29][CH2:30][OH:31].[Na+:28].[OH-:27]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[c:15]([cH:26]2)[CH:16]=[C:17]([C:21](=[O:22])[OH:23])[CH2:18][CH2:19][O:20]3)[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-764cad870b8e4445bc97e5e9126ddb66
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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