Sodium ion → 5-(3,5-Dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)-2-methylbenzoic acid

HRID 691227

Reaction equation

HRID 691227 reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6](-[n:11]2[n:12][c:13]([C:19]([OH:20])=[O:21])[c:14](=[O:18])[nH:15][c:16]2=[O:17])[cH:7][cH:8][c:9]1[CH3:10].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Na+:23].[OH-:22].[OH2:42].[SH:24][CH2:25][C:26]([OH:27])=[O:28]>>[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6](-[n:11]2[n:12][cH:13][c:14](=[O:18])[nH:15][c:16]2=[O:17])[cH:7][cH:8][c:9]1[CH3:10]

Participants

8

Sources & evidence

ORD record
ord-1fe8cdead0ce431ebaf899a565246569
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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