Acetic Acid → 4-(2-Acetyl-3-oxobut-1-en-1-yl)-3-methoxybenzonitrile
Reaction equation
[CH2:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:13][C:14]([CH2:15][C:16]([CH3:17])=[O:18])=[O:19].[CH3:20][C:21](=[O:22])[OH:23].[CH:1](=[O:2])[c:3]1[c:4]([O:11][CH3:12])[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10]1.[Cl:30][CH2:31][Cl:32]>>[CH:1]([c:3]1[c:4]([O:11][CH3:12])[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10]1)=[C:15]([C:14]([CH3:13])=[O:19])[C:16]([CH3:17])=[O:18]Participants
6
Sources & evidence
- ORD record
- ord-c3d3cb500fc94cbc9b0dedc30cf6fc67
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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