5-Chloro-3-methyl-2-pentanone → 1-(4-Oxo-3-methylpentyl)-3-ethyl-7-(2-methoxyethyl)-xanthine
Reaction equation
[CH2:1]([CH3:2])[n:3]1[c:4](=[O:17])[nH:5][c:6](=[O:16])[c:7]2[n:8]([CH2:12][CH2:13][O:14][CH3:15])[cH:9][n:10][c:11]12.[Cl:18][CH2:19][CH2:20][CH:21]([C:22]([CH3:23])=[O:24])[CH3:25]>>[CH2:1]([CH3:2])[n:3]1[c:4](=[O:17])[n:5]([CH2:19][CH2:20][CH:21]([C:22]([CH3:23])=[O:24])[CH3:25])[c:6](=[O:16])[c:7]2[n:8]([CH2:12][CH2:13][O:14][CH3:15])[cH:9][n:10][c:11]12Participants
3
Sources & evidence
- ORD record
- ord-5be550cdb0ad4522ba000118eaac5185
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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