Sodium Ion → 3-(1,3,7-Trimethyl-2,6-dioxopurin-8-yl)prop-2-enoic acid

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]=[CH:9][c:10]1[n:11][c:12]2[n:13]([CH3:23])[c:14](=[O:22])[n:15]([CH3:21])[c:16](=[O:20])[c:17]2[n:18]1[CH3:19].[Na+:25].[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[OH-:24].[OH2:31]>>[O:5]=[C:6]([OH:7])[CH:8]=[CH:9][c:10]1[n:11][c:12]2[n:13]([CH3:23])[c:14](=[O:22])[n:15]([CH3:21])[c:16](=[O:20])[c:17]2[n:18]1[CH3:19]

Participants

Reactant 5

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 962Water

HCID 6228Dimethylformamide

HCID 53646633Tert-butyl 3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)prop-2-enoate

Product 1

HCID 537621053-(1,3,7-Trimethyl-2,6-dioxopurin-8-yl)prop-2-enoic acid

Sources & evidence

ORD record: ord-4b4c7990df9748dca3a651ea9b5cb10f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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