Theophylline → 1,3-Dimethyl-7-(but-3-enyl)-xanthine
Reaction equation
[Br:1][CH2:2][CH2:3][CH:4]=[CH2:5].[CH3:20][N:21]([CH3:22])[CH:23]=[O:24].[Na:19].[n:6]1([CH3:7])[c:8](=[O:9])[n:10]([CH3:11])[c:12]2[n:13][cH:14][nH:15][c:16]2[c:17]1=[O:18]>>[CH2:2]([CH2:3][CH:4]=[CH2:5])[n:15]1[cH:14][n:13][c:12]2[n:10]([CH3:11])[c:8](=[O:9])[n:6]([CH3:7])[c:17](=[O:18])[c:16]21Participants
5
Sources & evidence
- ORD record
- ord-7e22d19ef277414cb267a5cff0622fa0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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