Ethanol → 4-[2-Hydroxy-4-(1,1-dimethylheptyl)phenyl]-2-butanone
Reaction equation
[C:29](=[O:30])([OH:31])[O-:32].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:24][CH2:25][C:26]([CH3:27])=[O:28])[cH:11][cH:12][c:13]([C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])([CH3:22])[CH3:23])[cH:14]1.[CH3:36][CH2:37][OH:38].[H:34][H:35].[Na+:33]>>[OH:8][c:9]1[c:10]([CH2:24][CH2:25][C:26]([CH3:27])=[O:28])[cH:11][cH:12][c:13]([C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])([CH3:22])[CH3:23])[cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-5550cbb359fe42fcbaaee4e3ed331eca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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