Potassium Cation → 1-(2-Hydroxy-3-phenoxy-propyl)-3-methyl-7-(2-butyn-1-yl)-8-bromo-xanthine

HRID 185548Notes

Reaction equation

HRID 185548 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:14][n:15]1[c:16](=[O:30])[nH:17][c:18](=[O:29])[c:19]2[n:20]([CH2:25][C:26]#[C:27][CH3:28])[c:21]([Br:24])[n:22][c:23]12.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[I-:13].[K+:12].[K+:35].[K+:36].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH:9]1[O:10][CH2:11]1.[OH2:42]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH:9]([OH:10])[CH2:11][n:17]1[c:16](=[O:30])[n:15]([CH3:14])[c:23]2[c:19]([c:18]1=[O:29])[n:20]([CH2:25][C:26]#[C:27][CH3:28])[c:21]([Br:24])[n:22]2

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31217Phenyl glycidyl etherHCID 210889278-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione

Product 1

HCID 688286191-(2-Hydroxy-3-phenoxy-propyl)-3-methyl-7-(2-butyn-1-yl)-8-bromo-xanthine

Sources & evidence

ORD record
ord-565ed7dc1ab84d3989007c1878bc8c51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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