Acetone → 1-(16,17-Dihydroxyheptadecyl)-3,7-dimethylxanthine
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]=[CH2:17])[n:18]1[c:19](=[O:20])[n:21]([CH3:30])[c:22]2[n:23][cH:24][n:25]([CH3:29])[c:26]2[c:27]1=[O:28].[CH3:31][N+:32]1([O-:33])[CH2:34][CH2:36][O:35][CH2:37][CH2:38]1.[CH3:52][C:53]([CH3:54])=[O:55].[Na+:44].[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:39].[OH2:51].[S:40]([O-:41])([O-:42])=[O:43]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([CH2:17][OH:35])[OH:39])[n:18]1[c:19](=[O:20])[n:21]([CH3:30])[c:22]2[n:23][cH:24][n:25]([CH3:29])[c:26]2[c:27]1=[O:28]Participants
8
Sources & evidence
- ORD record
- ord-a7a0c36f872c499c8a99bb0b4a364cb2
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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