Acetone → 1-(8,9-Dihydroxynonyl)-3,7-dimethylxanthine
Reaction equation
[C:40]([OH:41])([CH3:42])([CH3:43])[CH3:44].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH:8]=[CH2:9])[n:10]1[c:11](=[O:12])[n:13]([CH3:22])[c:14]2[n:15][cH:16][n:17]([CH3:21])[c:18]2[c:19]1=[O:20].[CH3:23][N+:24]1([O-:25])[CH2:26][CH2:28][O:27][CH2:29][CH2:30]1.[CH3:45][C:46](=[O:47])[CH3:48].[Na+:38].[Na+:39].[OH2:31].[S:32]([S:33]([O-:34])=[O:35])([O-:36])=[O:37]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH:8]([CH2:9][OH:27])[OH:31])[n:10]1[c:11](=[O:12])[n:13]([CH3:22])[c:14]2[n:15][cH:16][n:17]([CH3:21])[c:18]2[c:19]1=[O:20]Participants
8
Sources & evidence
- ORD record
- ord-b54ea57f2add4681bdac92469ae8e81d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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