Potassium Cation → 7-Benzyl-1-(2-propoxyethyl)-3-propylxanthine

HRID 88062

Reaction equation

HRID 88062 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:28]([CH2:29][CH3:30])[O:31][CH2:32][CH2:33][Cl:34].[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][CH3:27])[c:19](=[O:24])[nH:20][c:21](=[O:23])[c:22]12.[CH3:35][OH:36].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[K+:5].[K+:6].[OH2:42]>>[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][CH3:27])[c:19](=[O:24])[n:20]([CH2:33][CH2:32][O:31][CH2:28][CH2:29][CH3:30])[c:21](=[O:23])[c:22]12

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1235061-(2-Chloroethoxy)propaneHCID 220073027-Benzyl-3-propylxanthine

Product 1

HCID 220073057-Benzyl-1-(2-propoxyethyl)-3-propylxanthine

Sources & evidence

ORD record
ord-56e6239c91c14488a8c51acd0e168933
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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