Acetic Acid → 4-(2-Acetyl-3-oxobut-1-en-1-yl)-1-naphthonitrile
Reaction equation
[CH2:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:15][C:16]([CH2:17][C:18]([CH3:19])=[O:20])=[O:21].[CH3:22][C:23](=[O:24])[OH:25].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:13]#[N:14])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[Cl:32][CH2:33][Cl:34]>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([C:13]#[N:14])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)=[C:17]([C:16]([CH3:15])=[O:21])[C:18]([CH3:19])=[O:20]Participants
6
Sources & evidence
- ORD record
- ord-3a941d971b824886b5b17aa6b14e0ff8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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