Acetic Acid → 1-(2-Methoxyphenyl)-2-[(2-methyl-4-oxo-4H-chromen-8-yl)methylene]butane-1,3-dione
Reaction equation
[CH2:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:15][O:16][c:17]1[c:18]([C:23]([CH2:24][C:25]([CH3:26])=[O:27])=[O:28])[cH:19][cH:20][cH:21][cH:22]1.[CH3:1][c:2]1[o:3][c:4]2[c:5]([CH:13]=[O:14])[cH:6][cH:7][cH:8][c:9]2[c:10](=[O:12])[cH:11]1.[CH3:29][C:30](=[O:31])[OH:32].[Cl:39][CH2:40][Cl:41]>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([CH:13]=[C:24]([C:23]([c:18]3[c:17]([O:16][CH3:15])[cH:22][cH:21][cH:20][cH:19]3)=[O:28])[C:25]([CH3:26])=[O:27])[cH:6][cH:7][cH:8][c:9]2[c:10](=[O:12])[cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-5b8efbd7dd054649ad7dd26ca0e39203
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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