Potassium Cation → 2-(8-Chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl)benzonitrile

HRID 186246

Reaction equation

HRID 186246 reaction equation
[C:15](#[N:16])[c:17]1[c:18]([CH2:19][Br:20])[cH:21][cH:22][cH:23][cH:24]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:1][n:2]1[c:3]2[n:4][c:5]([Cl:6])[nH:7][c:8]2[c:9](=[O:10])[n:11]([CH3:12])[c:13]1=[O:14].[I-:32].[K+:29].[K+:30].[K+:31].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37]>>[CH3:1][n:2]1[c:3]2[n:4][c:5]([Cl:6])[n:7]([CH2:19][c:18]3[c:17]([C:15]#[N:16])[cH:24][cH:23][cH:22][cH:21]3)[c:8]2[c:9](=[O:10])[n:11]([CH3:12])[c:13]1=[O:14]

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 6228DimethylformamideHCID 106618-ChlorotheophyllineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 895992-(Bromomethyl)benzonitrile

Product 1

HCID 88509802-(8-Chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl)benzonitrile

Sources & evidence

ORD record
ord-3dc3f6d5f66e4140ae3e67bd971507c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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