Potassium Cation → 8-Chloro-7-[4-(4-chlorobenzoyl)benzyl]-1,3-dimethylxanthine

HRID 177669

Reaction equation

HRID 177669 reaction equation
[C:15](=[O:16])([O-:17])[O-:18].[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].[Cl:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[c:28]2[cH:29][cH:30][c:31]([CH2:32][Br:33])[cH:34][cH:35]2)[cH:36][cH:37]1.[K+:19].[K+:20].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[CH3:1][n:2]1[c:3]2[n:4][c:5]([Cl:6])[n:7]([CH2:32][c:31]3[cH:30][cH:29][c:28]([C:26]([c:25]4[cH:24][cH:23][c:22]([Cl:21])[cH:37][cH:36]4)=[O:27])[cH:35][cH:34]3)[c:8]2[c:9](=[O:10])[n:11]([CH3:12])[c:13]1=[O:14]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 106618-ChlorotheophyllineHCID 19660Carbonate IonHCID 98396514-(4-Chlorobenzoyl)benzyl bromide

Product 1

HCID 189190388-Chloro-7-[4-(4-chlorobenzoyl)benzyl]-1,3-dimethylxanthine

Sources & evidence

ORD record
ord-6db952a7ba3d40c78be403b799f929f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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