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Citric Acid → 4-((3-Chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylic acid

HRID 290376
Notes
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Reaction equation

HRID 290376 reaction equation
[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:7]([NH:9][CH2:10][c:11]2[cH:12][c:13]([Cl:19])[c:14]([O:17][CH3:18])[cH:15][cH:16]2)[n:8]1.[CH3:41][S:42]([CH3:43])=[O:44].[Na+:26].[OH-:25].[OH2:40].[OH:27][C:28]([CH2:29][C:30]([C:31](=[O:32])[OH:33])([CH2:34][C:35](=[O:36])[OH:37])[OH:38])=[O:39]>>[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]([C:20](=[O:21])[OH:22])[c:7]([NH:9][CH2:10][c:11]2[cH:12][c:13]([Cl:19])[c:14]([O:17][CH3:18])[cH:15][cH:16]2)[n:8]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 311Citric AcidHCID 679Dimethyl SulfoxideHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 22025927Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate

Product 1

On this pageParticipantsSources & evidenceReaction notes
HCID 22665572
4-((3-Chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylic acid

Sources & evidence

ORD record
ord-fbae843a26e54c94b1f5cb67475531f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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