Methanol → 7-Benzyl-3-(2-methylpropyl)xanthine
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][n:10][c:11]2[nH:12][c:13](=[O:18])[nH:14][c:15](=[O:17])[c:16]12.[CH2:21]([CH:22]([CH3:23])[CH3:24])[Br:25].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH3:32][OH:33].[H-:19].[Na+:20].[OH2:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][n:10][c:11]2[n:12]([CH2:21][CH:22]([CH3:23])[CH3:24])[c:13](=[O:18])[nH:14][c:15](=[O:17])[c:16]12Participants
8
Sources & evidence
- ORD record
- ord-2f6d348f1ee34543a45f75c3e9ff964a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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