Citric Acid → 4-(2-Bromo-phenyl)-4-cyano-but-3-enoic acid methyl ester
Reaction equation
[Br:1][c:2]1[c:3]([CH2:8][C:9]#[N:10])[cH:4][cH:5][cH:6][cH:7]1.[CH3:11][O:12][C:13]([CH:14]=[CH:15][O:16][CH3:17])=[O:18].[CH3:19][C:20]([CH3:21])([O-:22])[CH3:23].[CH3:43][O:44][C:45]([CH3:46])([CH3:47])[CH3:48].[Na+:24].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH:25][C:26]([CH2:27][C:28]([C:29](=[O:30])[OH:31])([CH2:32][C:33](=[O:34])[OH:35])[OH:36])=[O:37]>>[Br:1][c:2]1[c:3]([C:8]([C:9]#[N:10])=[CH:15][CH2:14][C:13]([O:12][CH3:11])=[O:18])[cH:4][cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-287d3cc5d17947b2ae0a9ca3e003b81d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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