Potassium Cation → 7-Benzyl-3-butyl-1-(3-methoxypropyl)xanthine

HRID 112781

Reaction equation

HRID 112781 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[cH:15][n:16][c:17]2[n:18]([CH2:25][CH2:26][CH2:27][CH3:28])[c:19](=[O:24])[nH:20][c:21](=[O:23])[c:22]12.[CH3:29][O:30][CH2:31][CH2:32][CH2:33][Cl:34].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[K+:5].[K+:6].[OH2:35]>>[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[n:14]1[cH:15][n:16][c:17]2[n:18]([CH2:25][CH2:26][CH2:27][CH3:28])[c:19](=[O:24])[n:20]([CH2:33][CH2:32][CH2:31][O:30][CH3:29])[c:21](=[O:23])[c:22]12

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1189271-Chloro-3-methoxypropaneHCID 39938667-Benzyl-3-butylxanthine

Product 1

HCID 220073217-Benzyl-3-butyl-1-(3-methoxypropyl)xanthine

Sources & evidence

ORD record
ord-d8c21661e6ab4ca896c4e1f7f5031bfd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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