Citric Acid → 4-{[(2-{2-[(2-Tert-butyl-1,1-dimethyl-2-oxoethyl)thio]-1,3-thiazol-4-yl}ethyl)(5-ethylpyrimidin-2-yl)amino]methyl}benzoic acid
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([c:12]2[n:13][cH:14][c:15]([CH2:18][CH3:19])[cH:16][n:17]2)[CH2:20][CH2:21][c:22]2[n:23][c:24]([S:27][C:28]([C:29](=[O:30])[C:31]([CH3:32])([CH3:33])[CH3:34])([CH3:35])[CH3:36])[s:25][cH:26]2)[cH:8][cH:9]1)=[O:37].[CH3:53][OH:54].[Na+:39].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH-:38].[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([c:12]2[n:13][cH:14][c:15]([CH2:18][CH3:19])[cH:16][n:17]2)[CH2:20][CH2:21][c:22]2[n:23][c:24]([S:27][C:28]([C:29](=[O:30])[C:31]([CH3:32])([CH3:33])[CH3:34])([CH3:35])[CH3:36])[s:25][cH:26]2)[cH:8][cH:9]1)[OH:37]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-cfcc76a6d44942008f4aea53a2b431a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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