Potassium Cation → 1-[(3-Cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromo-xanthine
Reaction equation
[C:18](=[O:19])([O-:20])[O-:21].[CH3:1][n:2]1[c:3](=[O:17])[nH:4][c:5](=[O:16])[c:6]2[n:7]([CH2:12][C:13]#[C:14][CH3:15])[c:8]([Br:11])[n:9][c:10]12.[CH3:24][N:25]1[CH2:26][CH2:27][CH2:28][C:29]1=[O:30].[Cl:31][CH2:32][c:33]1[n:34][cH:35][cH:36][cH:37][c:38]1[C:39]#[N:40].[K+:22].[K+:23].[OH2:41]>>[CH3:1][n:2]1[c:3](=[O:17])[n:4]([CH2:32][c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[C:39]#[N:40])[c:5](=[O:16])[c:6]2[n:7]([CH2:12][C:13]#[C:14][CH3:15])[c:8]([Br:11])[n:9][c:10]12Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-fa8064873058498081a70aaa3b11e428
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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