Acetic Acid → 2-Chloro-9-(2-hydroxyethoxymethyl)hypoxanthine
Reaction equation
[CH3:21][C:22](=[O:23])[OH:24].[Cl:5][c:6]1[n:7][c:8]([NH2:20])[c:9]2[n:10][cH:11][n:12]([CH2:15][O:16][CH2:17][CH2:18][OH:19])[c:13]2[n:14]1.[N:1](=[O:2])[O-:3].[Na+:4]>>[O:2]=[c:8]1[nH:7][c:6]([Cl:5])[n:14][c:13]2[c:9]1[n:10][cH:11][n:12]2[CH2:15][O:16][CH2:17][CH2:18][OH:19]Participants
5
Sources & evidence
- ORD record
- ord-216d4b41fefb4d9ba58b25e81c6a417a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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