Acetone → 1-(9,10-dihydroxydecyl)-3,7-dimethylxanthine

HRID 295179Notes

Reaction equation

HRID 295179 reaction equation
[C:41]([OH:42])([CH3:43])([CH3:44])[CH3:45].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH2:10])[n:11]1[c:12](=[O:13])[n:14]([CH3:23])[c:15]2[n:16][cH:17][n:18]([CH3:22])[c:19]2[c:20]1=[O:21].[CH3:24][N+:25]1([O-:26])[CH2:27][CH2:29][O:28][CH2:30][CH2:31]1.[CH3:46][C:47](=[O:48])[CH3:49].[Na+:39].[Na+:40].[OH2:32].[Os:50](=[O:51])(=[O:52])(=[O:53])=[O:54].[S:33]([S:34]([O-:35])=[O:36])([O-:37])=[O:38]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:28])[OH:32])[n:11]1[c:12](=[O:13])[n:14]([CH3:23])[c:15]2[n:16][cH:17][n:18]([CH3:22])[c:19]2[c:20]1=[O:21]

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ion2×HCID 962WaterHCID 1086DithioniteHCID 6386tert-ButanolHCID 30318Osmium TetroxideHCID 82029Methyl morpholine oxideHCID 15230636HCID 15230636, compound

Product 1

HCID 98198951-(9,10-dihydroxydecyl)-3,7-dimethylxanthine

Sources & evidence

ORD record
ord-6535778f2666419681a0a97858ac3d8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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