Acetic Acid → 4-(5,6-Dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
Reaction equation
[CH2:23]([CH:24]([Br:25])[C:26](=[O:27])[O-:28])[CH3:29].[CH3:30][C:31](=[O:32])[OH:33].[CH3:3][O:4][C:5]([CH2:6][C:7](=[O:8])[c:9]1[cH:10][c:11]2[c:12]([s:13]1)[cH:14][c:15]([O:20][CH3:21])[c:16]([O:18][CH3:19])[cH:17]2)=[O:22].[H-:1].[Na+:2].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:39]>>[CH2:5]([CH2:6][C:7](=[O:8])[c:9]1[cH:10][c:11]2[c:12]([s:13]1)[cH:14][c:15]([O:20][CH3:21])[c:16]([O:18][CH3:19])[cH:17]2)[C:26](=[O:27])[OH:28]Participants
8
Sources & evidence
- ORD record
- ord-d15f316df2a54b13bc46da0c64bfbbb8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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