Acetic Acid → 1-(5-Hydroxyhexyl)-3-methylxanthine

HRID 112573Notes

Reaction equation

HRID 112573 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][n:10][c:11]2[n:12]([CH3:26])[c:13](=[O:25])[n:14]([CH2:18][CH2:19][CH2:20][CH2:21][CH:22]([CH3:23])[OH:24])[c:15](=[O:17])[c:16]12.[CH3:27][OH:28].[CH3:31][C:32](=[O:33])[OH:34].[H:29][H:30]>>[nH:8]1[cH:9][n:10][c:11]2[n:12]([CH3:26])[c:13](=[O:25])[n:14]([CH2:18][CH2:19][CH2:20][CH2:21][CH:22]([CH3:23])[OH:24])[c:15](=[O:17])[c:16]12

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 224990067-Benzyl-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dioneHCID 178418361HCID 178418361, compound

Product 1

HCID 150238931-(5-Hydroxyhexyl)-3-methylxanthine

Sources & evidence

ORD record
ord-47a170921fe74a018cb1062722ed4e43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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