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Potassium Cation → 7-[4-(4-Chlorobenzoyl)benzyl]-1-butyl-3-methylxanthine

HRID 317164
Notes
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Reaction equation

HRID 317164 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH2:35]([CH2:36][CH2:37][CH3:38])[I:39].[CH3:1][n:2]1[c:3](=[O:28])[nH:4][c:5](=[O:27])[c:6]2[n:7]([CH2:11][c:12]3[cH:13][cH:14][c:15]([C:18]([c:19]4[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]4)=[O:26])[cH:16][cH:17]3)[cH:8][n:9][c:10]12.[K+:33].[K+:34].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[CH3:1][n:2]1[c:3](=[O:28])[n:4]([CH2:35][CH2:36][CH2:37][CH3:38])[c:5](=[O:27])[c:6]2[n:7]([CH2:11][c:12]3[cH:13][cH:14][c:15]([C:18]([c:19]4[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]4)=[O:26])[cH:16][cH:17]3)[cH:8][n:9][c:10]12
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 10962Butyl iodideHCID 19660Carbonate IonHCID 189188013-Methyl-7-[4-(4-chlorobenzoyl)benzyl]xanthine

Product 1

HCID 18919050
7-[4-(4-Chlorobenzoyl)benzyl]-1-butyl-3-methylxanthine

Sources & evidence

ORD record
ord-4c5a44bec2ae4637bda7d8b6ea95cb4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes