Acetone → 1-(5,6-Dihydroxyhexyl)-3,7-dimethylxanthine

HRID 212907

Reaction equation

HRID 212907 reaction equation
[C:41]([OH:42])([CH3:43])([CH3:44])[CH3:45].[CH2:1]([CH2:2][CH2:3][CH2:4][CH:5]=[CH2:6])[n:7]1[c:8](=[O:9])[n:10]([CH3:19])[c:11]2[n:12][cH:13][n:14]([CH3:18])[c:15]2[c:16]1=[O:17].[CH3:20][N+:21]1([O-:22])[CH2:23][CH2:25][O:24][CH2:26][CH2:27]1.[CH3:37][C:38](=[O:39])[CH3:40].[Na+:34].[Na+:35].[OH2:36].[Os:46](=[O:47])(=[O:48])(=[O:49])=[O:50].[S:28]([S:29]([O-:30])=[O:31])([O-:32])=[O:33]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH:5]([CH2:6][OH:24])[OH:36])[n:7]1[c:8](=[O:9])[n:10]([CH3:19])[c:11]2[n:12][cH:13][n:14]([CH3:18])[c:15]2[c:16]1=[O:17]

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ion2×HCID 962WaterHCID 1086DithioniteHCID 6386tert-ButanolHCID 30318Osmium TetroxideHCID 82029Methyl morpholine oxideHCID 128776801-(Hex-5-en-1-yl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Product 1

HCID 158959551-(5,6-Dihydroxyhexyl)-3,7-dimethylxanthine

Sources & evidence

ORD record
ord-b620ce8ace8b4874b2bf0c495ce361c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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