Acetic Acid → 2-Acetyl-5-(2-methoxyphenyl)cyclohexane-1,3-dione
Reaction equation
[CH3:17][C:18]([OH:19])=[O:20].[CH3:1][O:2][c:3]1[c:4]([CH:9]2[CH2:10][C:11](=[O:16])[CH2:12][C:13](=[O:15])[CH2:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:21][N:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][n:28]1)[CH3:29].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH:30]1([N:31]=[C:32]=[N:33][CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1>>[CH3:1][O:2][c:3]1[c:4]([CH:9]2[CH2:10][C:11](=[O:16])[CH:12]([C:18]([CH3:17])=[O:19])[C:13](=[O:15])[CH2:14]2)[cH:5][cH:6][cH:7][cH:8]1Participants
6
Sources & evidence
- ORD record
- ord-9014f176ceb6422595ff83c52d96961e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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