Methanol → Propentofylline

HRID 99394Notes

Reaction equation

HRID 99394 reaction equation
[Br:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23]([CH3:24])=[O:25].[CH3:1][n:2]1[c:3](=[O:15])[nH:4][c:5](=[O:14])[c:6]2[n:7]([CH2:11][CH2:12][CH3:13])[cH:8][n:9][c:10]12.[CH3:26][OH:27].[Na+:17].[OH-:16].[OH2:28]>>[CH3:1][n:2]1[c:3](=[O:15])[n:4]([CH2:19][CH2:20][CH2:21][CH2:22][C:23]([CH3:24])=[O:25])[c:5](=[O:14])[c:6]2[n:7]([CH2:11][CH2:12][CH3:13])[cH:8][n:9][c:10]12

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 250616-Bromohexan-2-oneHCID 33143973-Methyl-7-propylpurine-2,6-dione

Product 1

HCID 4938Propentofylline

Sources & evidence

ORD record
ord-70bcc9634f1348d99f4a16723eeed98f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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