Acetic Acid → 2-Cyanoethyl 2-(4-cyano-2-methoxybenzylidene)-3-oxobutanoate
Reaction equation
[CH2:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:24][C:25](=[O:26])[OH:27].[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:34][CH2:35][Cl:36].[O:13]=[C:14]([CH2:15][C:16](=[O:17])[O:18][CH2:19][CH2:20][C:21]#[N:22])[CH3:23]>>[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](=[O:13])[CH3:23])[C:16](=[O:17])[O:18][CH2:19][CH2:20][C:21]#[N:22]Participants
6
Sources & evidence
- ORD record
- ord-089be17c7ffd417abd4a7fe27e47d448
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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