Ethanol → 2-(11-Oxo-10,11-dihydrodibenzo[b,f]oxepin-2-yl)propanoic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH3:6])[c:7]1[cH:8][c:9]2[c:10]([cH:21][cH:22]1)[O:11][c:12]1[c:13]([cH:17][cH:18][cH:19][cH:20]1)[CH2:14][C:15]2=[O:16])=[O:23].[CH3:26][CH2:27][OH:28].[K+:25].[OH-:24].[OH2:29]>>[O:3]=[C:4]([CH:5]([CH3:6])[c:7]1[cH:8][c:9]2[c:10]([cH:21][cH:22]1)[O:11][c:12]1[c:13]([cH:17][cH:18][cH:19][cH:20]1)[CH2:14][C:15]2=[O:16])[OH:23]Participants
6
Sources & evidence
- ORD record
- ord-f8be13f55f4c4dd5b029e5aacc6a05c3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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