Potassium Cation → 7-Butyl-3-ethyl-1-(6-hydroxy-6-methylheptyl)-xanthine
Reaction equation
[Br:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30]([CH3:31])([CH3:32])[OH:33].[C:18](=[O:19])([O-:20])[O-:21].[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[cH:6][n:7][c:8]2[n:9]([CH2:16][CH3:17])[c:10](=[O:15])[nH:11][c:12](=[O:14])[c:13]12.[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[K+:22].[K+:23]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[cH:6][n:7][c:8]2[n:9]([CH2:16][CH3:17])[c:10](=[O:15])[n:11]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30]([CH3:31])([CH3:32])[OH:33])[c:12](=[O:14])[c:13]12Participants
6
Sources & evidence
- ORD record
- ord-1ccb034db8f64945a3ac76f7ca625de9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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