Citric Acid → HCID 21089195, compound

HRID 1226940Notes

Reaction equation

HRID 1226940 reaction equation
[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[n:7][c:8]([S:24][CH3:25])[n:9](-[c:13]3[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][c:22]3[CH3:23])[c:10](=[O:12])[cH:11]2)[cH:26][cH:27][c:28]([F:30])[cH:29]1.[Na+:51].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[OH-:50].[OH2:52].[OH:37][C:38]([CH2:39][C:40]([C:41](=[O:42])[OH:43])([CH2:44][C:45](=[O:46])[OH:47])[OH:48])=[O:49]>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[n:7][c:8]([S:24][CH3:25])[n:9](-[c:13]3[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:20][cH:21][c:22]3[CH3:23])[c:10](=[O:12])[cH:11]2)[cH:26][cH:27][c:28]([F:30])[cH:29]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 21090186methyl 3-[4-[(2,4-difluorobenzyl)oxy]-2-(methylthio)-6-oxopyrimidin-1(6H)-yl]-4-methylbenzoate

Product 1

HCID 21089195HCID 21089195, compound

Sources & evidence

ORD record
ord-919bf162fd284527bcb94dd7312ca90f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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