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Potassium Cation → 1-[2-(2-Nitrophenyl)-2-oxoethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-chloroxanthine

HRID 286665
Notes
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Reaction equation

HRID 286665 reaction equation
[Br:19][CH2:20][C:21](=[O:22])[c:23]1[c:24]([N+:29](=[O:30])[O-:31])[cH:25][cH:26][cH:27][cH:28]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:1][n:2]1[c:3](=[O:18])[nH:4][c:5](=[O:17])[c:6]2[n:7]([CH2:12][CH:13]=[C:14]([CH3:15])[CH3:16])[c:8]([Cl:11])[n:9][c:10]12.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[K+:36].[K+:37].[Na+:39].[OH-:38]>>[CH3:1][n:2]1[c:3](=[O:18])[n:4]([CH2:20][C:21](=[O:22])[c:23]2[c:24]([N+:29](=[O:30])[O-:31])[cH:25][cH:26][cH:27][cH:28]2)[c:5](=[O:17])[c:6]2[n:7]([CH2:12][CH:13]=[C:14]([CH3:15])[CH3:16])[c:8]([Cl:11])[n:9][c:10]12
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 923Sodium IonHCID 961HydroxideHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 2440252-Bromo-2'-nitroacetophenoneHCID 220297223-Methyl-7-(3-methyl-2-buten-1-yl)-8-chloro-xanthine

Product 1

HCID 179648741-[2-(2-Nitrophenyl)-2-oxoethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-chloroxanthine

Sources & evidence

ORD record
ord-1a14ea3097b446c384f54290be92aa32
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