Citric Acid → 3-Bromo-4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
Reaction equation
[Br:1][c:2]1[c:3]([CH3:25])[c:4]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[cH:7]1.[CH3:41][OH:42].[K+:27].[OH-:26].[OH2:43].[OH:28][C:29]([CH2:30][C:31]([C:32](=[O:33])[OH:34])([CH2:35][C:36](=[O:37])[OH:38])[OH:39])=[O:40]>>[Br:1][c:2]1[c:3]([CH3:25])[c:4]([N:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]2)[cH:5][c:6]([C:8](=[O:9])[OH:10])[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-21dc30932f054360bf4939ede4029091
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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