Dimethyl Sulfoxide → 3-(Cyanopentyl)-7-methylxanthine
Reaction equation
[Br:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21]#[N:22].[CH3:1][n:2]1[cH:3][n:4][c:5]2[nH:6][c:7](=[O:12])[nH:8][c:9](=[O:11])[c:10]12.[CH3:23][S:24]([CH3:25])=[O:26].[H-:13].[Na+:14]>>[CH3:1][n:2]1[cH:3][n:4][c:5]2[n:6]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21]#[N:22])[c:7](=[O:12])[nH:8][c:9](=[O:11])[c:10]12Participants
6
Sources & evidence
- ORD record
- ord-fe1c9c4b36a141cfaf58384eaadebfdb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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