Hydrogen Bromide → Oxalic Acid

HRID 155451Notes

Reaction equation

HRID 155451 reaction equation
[BrH:40].[C:43]([C:44](=[O:45])[O-:46])(=[O:47])[O-:48].[CH2:49]([O:50][CH2:51][CH3:52])[CH3:53].[CH3:54][OH:55].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]#[N:10])([c:11]2[n:12][cH:13][cH:14][cH:15][cH:16]2)[CH:17]2[CH2:18][CH2:19][N:20]([S:23]([c:24]3[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]3)(=[O:31])=[O:32])[CH2:21][CH2:22]2)[cH:6][cH:7]1.[Na+:42].[OH-:41].[OH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[C:43]([C:44](=[O:45])[OH:46])(=[O:47])[OH:48].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]#[N:10])([c:11]2[n:12][cH:13][cH:14][cH:15][cH:16]2)[CH:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)[cH:6][cH:7]1

Participants

10

Reactant 8

HCID 260Hydrogen BromideHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 996PhenolHCID 3283Diethyl EtherHCID 71081OxalateHCID 14407187HCID 14407187, compound

Product 2

HCID 971Oxalic AcidHCID 14407188HCID 14407188, compound

Sources & evidence

ORD record
ord-d41b200e62cf42bca042b6b4ac647158
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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