Acetic Acid → 4-(2-Acetyl-3-oxobut-1-en-1-yl)-3-ethylbenzonitrile
Reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9][c:10]1[CH:11]=[O:12].[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].[Cl:30][CH2:31][Cl:32]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9][c:10]1[CH:11]=[C:15]([C:14]([CH3:13])=[O:19])[C:16]([CH3:17])=[O:18]Participants
6
Sources & evidence
- ORD record
- ord-406d840bd15645c0a83695857050ecd9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…