Acetone → 1-(11,12-Dihydroxydodecyl)-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][CH:11]=[CH2:12])[n:13]1[c:14](=[O:15])[n:16]([CH3:25])[c:17]2[n:18][cH:19][n:20]([CH3:24])[c:21]2[c:22]1=[O:23].[CH3:26][N+:27]1([O-:28])[CH2:29][CH2:31][O:30][CH2:32][CH2:33]1.[CH3:42][C:43]([CH3:44])=[O:45].[Na+:39].[Na+:40].[OH2:34].[OH2:41].[S:35]([O-:36])([O-:37])=[O:38]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]([CH2:12][OH:30])[OH:34])[n:13]1[c:14](=[O:15])[n:16]([CH3:25])[c:17]2[n:18][cH:19][n:20]([CH3:24])[c:21]2[c:22]1=[O:23]Participants
7
Sources & evidence
- ORD record
- ord-918b89e609b64e7a9d5f2f45c4e54088
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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