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].[CH3:22][C:23]([O-:24])=[O:25].[CH3:39][C:40]([O:41][C:42](=[O:43])[CH3:44])=[O:45].[CH3:46][C:47](=[O:48])[OH:49].[I-:38].[K+:21].[K+:37].[nH:26]1[c:27](=[O:28])[c:29]2[nH:30][cH:31][n:32][c:33]2[nH:34][c:35]1=[O:36]>>[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:24])[c:10]2[c:11]1=[O:12]Participants
8
Sources & evidence
- ORD record
- ord-0c3319f3e19540afb43a229c8aa42713
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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