Acetate → 1,3-Dimethyl-7-(6-hydroxyhexyl)-xanthine
Reaction equation
[CH3:1][n:2]1[c:3](=[O:4])[n:5]([CH3:20])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][Br:19])[c:10]2[c:11]1=[O:12].[CH3:21][C:22](=[O:23])[O:24][C:25](=[O:26])[CH3:27].[CH3:29][C:30](=[O:31])[O-:32].[CH3:33][C:34](=[O:35])[OH:36].[K+:28]>>[CH3:1][n:2]1[c:3](=[O:4])[n:5]([CH3:20])[c:6]2[n:7][cH:8][n:9]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][OH:23])[c:10]2[c:11]1=[O:12]Participants
6
Sources & evidence
- ORD record
- ord-464add716c8a4f03a6d8be6a5d36ea6d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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