Acetone → 1-(12,13-Dihydroxytridecyl)-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][CH:12]=[CH2:13])[n:14]1[c:15](=[O:16])[n:17]([CH3:26])[c:18]2[n:19][cH:20][n:21]([CH3:25])[c:22]2[c:23]1=[O:24].[CH3:27][N+:28]1([O-:29])[CH2:30][CH2:32][O:31][CH2:33][CH2:34]1.[CH3:43][C:44]([CH3:45])=[O:46].[Na+:40].[Na+:41].[OH2:35].[OH2:42].[S:36]([O-:37])([O-:38])=[O:39]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]([CH2:13][OH:31])[OH:35])[n:14]1[c:15](=[O:16])[n:17]([CH3:26])[c:18]2[n:19][cH:20][n:21]([CH3:25])[c:22]2[c:23]1=[O:24]Participants
7
Sources & evidence
- ORD record
- ord-afef9e60e1a24741a3f9f5d3d3555029
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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