Acetic Acid → 3-Acetoxy-2-cyclohexen-1-one
Reaction equation
[CH2:37]([Cl:38])[Cl:39].[CH3:28][N:29]([CH3:30])[c:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1.[CH3:9][C:10]([OH:11])=[O:12].[CH:13]1([N:14]=[C:15]=[N:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1.[OH:1][C:2]1=[CH:3][C:4](=[O:8])[CH2:5][CH2:6][CH2:7]1>>[O:1]([C:2]1=[CH:3][C:4](=[O:8])[CH2:5][CH2:6][CH2:7]1)[C:10]([CH3:9])=[O:11]Participants
6
Sources & evidence
- ORD record
- ord-1c20e16db226485ebeca30051770b593
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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