Benzene → 2-(6-m-Methoxyphenyl-3-oxohexyl)-2-ethylcyclohexane-1,3-dione
Reaction equation
[CH2:17]([N:18]([CH2:19][CH3:35])[CH2:20][CH2:21][C:22]([CH2:23][CH2:24][CH2:25][c:26]1[cH:27][c:28]([O:32][CH3:33])[cH:29][cH:30][cH:31]1)=[O:34])[CH3:36].[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:10])[CH2:5][CH2:6][CH2:7][C:8]1=[O:9].[CH3:37][O:38][c:39]1[cH:40][c:41]([CH2:42][CH2:43][CH2:44][C:45](=[O:46])[CH:47]=[CH2:48])[cH:49][cH:50][cH:51]1.[cH:11]1[cH:12][cH:13][n:14][cH:15][cH:16]1.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH2:1]([CH3:2])[C:3]1([CH2:20][CH2:21][C:22]([CH2:23][CH2:24][CH2:25][c:26]2[cH:27][c:28]([O:32][CH3:33])[cH:29][cH:30][cH:31]2)=[O:34])[C:4](=[O:10])[CH2:5][CH2:6][CH2:7][C:8]1=[O:9]Participants
6
Sources & evidence
- ORD record
- ord-a867cbacabe34ea4a66dd37a47bc7afc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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