Theophylline → 7-(3-Bromopropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Reaction equation
[Br:14][CH2:15][CH2:16][CH2:17][Br:18].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:1][n:2]1[c:3]2[n:4][cH:5][nH:6][c:7]2[c:8](=[O:9])[n:10]([CH3:11])[c:12]1=[O:13].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30]>>[CH3:1][n:2]1[c:3]2[n:4][cH:5][n:6]([CH2:17][CH2:16][CH2:15][Br:14])[c:7]2[c:8](=[O:9])[n:10]([CH3:11])[c:12]1=[O:13]Participants
5
Sources & evidence
- ORD record
- ord-717adbd4be4845c7b8e354f6967c748e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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