Citric Acid → 4-(3-Chloro-4-methoxybenzylamino)-5-carboxy-6-methoxy-2-methylthiopyrimidine
Reaction equation
[CH3:42][S:43](=[O:44])[CH3:45].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[n:8][c:9]([S:19][CH3:20])[n:10][c:11]([O:17][CH3:18])[c:12]2[C:13](=[O:14])[O:15][CH3:16])[cH:21][cH:22][c:23]1[O:24][CH3:25].[Na+:27].[OH-:26].[OH2:28].[OH:29][C:30]([CH2:31][C:32]([C:33](=[O:34])[OH:35])([CH2:36][C:37](=[O:38])[OH:39])[OH:40])=[O:41]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[n:8][c:9]([S:19][CH3:20])[n:10][c:11]([O:17][CH3:18])[c:12]2[C:13](=[O:14])[OH:15])[cH:21][cH:22][c:23]1[O:24][CH3:25]Participants
7
Sources & evidence
- ORD record
- ord-bb79f73dc4b84539888a4d00d440cf45
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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