1-Chloro-5-hydroxy-5-methylhexane → 7-Butyl-3-ethyl-1-(5-hydroxy-5-methylhexyl)-xanthine
Reaction equation
[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.[Cl:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]([CH3:24])([CH3:25])[OH:26]>>[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]([CH2:19][CH2:20][CH2:21][CH2:22][C:23]([CH3:24])([CH3:25])[OH:26])[c:12](=[O:14])[c:13]12Participants
3
Sources & evidence
- ORD record
- ord-d5c31d6324a3426c8a25346376c6c9b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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