1-Chloro-5-hydroxy-5-methylhexane → 7-Cyclopropylmethyl-1-(5-hydroxy-5-methylhexyl)-3-methylxanthine
Reaction equation
[CH:1]1([CH2:4][n:5]2[cH:6][n:7][c:8]3[n:9]([CH3:16])[c:10](=[O:15])[nH:11][c:12](=[O:14])[c:13]23)[CH2:2][CH2:3]1.[Cl:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22]([CH3:23])([CH3:24])[OH:25]>>[CH:1]1([CH2:4][n:5]2[cH:6][n:7][c:8]3[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]23)[CH2:2][CH2:3]1Participants
3
Sources & evidence
- ORD record
- ord-089251c5f1f745a7bb4fa415d9284615
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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