Ethanol → 1-(5-Aminohexyl)-3,7-dimethylxanthine
Reaction equation
[CH3:25][CH2:26][OH:27].[H:23][H:24].[N:1](=[N+:2]=[N-:3])[CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][n:9]1[c:10](=[O:11])[n:12]([CH3:21])[c:13]2[n:14][cH:15][n:16]([CH3:20])[c:17]2[c:18]1=[O:19])[CH3:22]>>[NH2:1][CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][n:9]1[c:10](=[O:11])[n:12]([CH3:21])[c:13]2[n:14][cH:15][n:16]([CH3:20])[c:17]2[c:18]1=[O:19])[CH3:22]Participants
4
Sources & evidence
- ORD record
- ord-63201605218c432eb460f3d2d0a1a0ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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