Potassium Cation → 8-Chloro-7-(2-iodobenzyl)-1,3-dimethyl-3,7-dihydropurine-2,6-dione

HRID 1548658Notes

Reaction equation

HRID 1548658 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[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].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[I-:31].[I:15][c:16]1[c:17]([CH2:18][Cl:19])[cH:20][cH:21][cH:22][cH:23]1.[K+:28].[K+:29].[K+:30].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH2:43]>>[CH3:1][n:2]1[c:3]2[n:4][c:5]([Cl:6])[n:7]([CH2:18][c:17]3[c:16]([I:15])[cH:23][cH:22][cH:21][cH:20]3)[c:8]2[c:9](=[O:10])[n:11]([CH3:12])[c:13]1=[O:14]

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 106618-ChlorotheophyllineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 1010641-(Chloromethyl)-2-iodobenzene

Product 1

HCID 225086268-Chloro-7-(2-iodobenzyl)-1,3-dimethyl-3,7-dihydropurine-2,6-dione

Sources & evidence

ORD record
ord-cc250df5bdfc40d18dd3ad84744f9734
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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