Acetic Acid → 2-Carbomethoxy-4-cyano-4-(o-chlorophenyl)cyclohexanone
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6]([CH2:7][CH2:8][C:9](=[O:10])[O:11][CH3:12])([C:13]#[N:14])[c:15]1[c:16]([Cl:21])[cH:17][cH:18][cH:19][cH:20]1)=[O:22].[CH3:48][C:49]([CH3:50])([O-:51])[CH3:52].[CH3:54][C:55](=[O:56])[OH:57].[Cl:23][c:24]1[cH:25][cH:26][c:27]([C:28]([C:29]#[N:30])([CH2:31][CH2:32][C:33]([OH:34])=[O:35])[CH2:36][CH2:37][C:38]([OH:39])=[O:40])[cH:41][cH:42]1.[K+:53].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:3]1(=[O:22])[CH2:4][CH2:5][C:6]([C:13]#[N:14])([c:15]2[c:16]([Cl:21])[cH:17][cH:18][cH:19][cH:20]2)[CH2:7][CH:8]1[C:9](=[O:10])[O:11][CH3:12]Participants
7
Sources & evidence
- ORD record
- ord-5aa5c008a22a4e44a7d00e85b947be5f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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