7-Butyl-3-methylxanthine → 1-(5-Hydroxy-5-methylhexyl)-3-methyl-7-butylxanthine
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[cH:6][n:7][c:8]2[n:9]([CH3:16])[c:10](=[O:15])[nH:11][c:12](=[O:14])[c:13]12.[Cl:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22]([CH3:23])([CH3:24])[OH:25]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[cH:6][n:7][c:8]2[n:9]([CH3:16])[c:10](=[O:15])[n:11]([CH2:18][CH2:19][CH2:20][CH2:21][C:22]([CH3:23])([CH3:24])[OH:25])[c:12](=[O:14])[c:13]12Participants
3
Sources & evidence
- ORD record
- ord-516fe16ee3424c76acc72b905374ce5b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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