Potassium Cation → 7-Benzyl-1-ethoxymethyl-3-propylxanthine

HRID 315036

Reaction equation

HRID 315036 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:28]([CH3:29])[O:30][CH2:31][Cl:32].[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.[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:39][OH:40].[K+:5].[K+:6].[OH2:38]>>[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]([CH2:31][O:30][CH2:28][CH3:29])[c:21](=[O:23])[c:22]12

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 18523Chloromethyl ethyl etherHCID 19660Carbonate IonHCID 220073027-Benzyl-3-propylxanthine

Product 1

HCID 220073017-Benzyl-1-ethoxymethyl-3-propylxanthine

Sources & evidence

ORD record
ord-9cf97471267d424ab98d6d7b742fe76c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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