1-Chloro-2-propanol → 3-Ethyl-7-(5,6-dihydroxyhexyl)-1-(2-hydroxypropyl)-xanthine
Reaction equation
[CH2:1]([CH3:2])[n:3]1[c:4](=[O:25])[n:5]([CH2:21][C:22]([CH3:23])=[O:24])[c:6](=[O:20])[c:7]2[n:8]([CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([CH2:17][OH:18])[OH:19])[cH:9][n:10][c:11]12.[Cl:26][CH2:27][CH:28]([OH:29])[CH3:30]>>[CH2:1]([CH3:2])[n:3]1[c:4](=[O:25])[n:5]([CH2:21][CH:22]([CH3:23])[OH:24])[c:6](=[O:20])[c:7]2[n:8]([CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([CH2:17][OH:18])[OH:19])[cH:9][n:10][c:11]12Participants
3
Sources & evidence
- ORD record
- ord-84fc14b1d9eb467cb274c053cc4eecfd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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