Hydrogen Bromide → Water

HRID 161842Notes

Reaction equation

HRID 161842 reaction equation
[BrH:40].[C:43]([C:44](=[O:45])[O-:46])(=[O:47])[O-:48].[CH:49]([Cl:50])([Cl:51])[Cl:52].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]#[N:10])([CH:11]2[CH2:12][N:13]([S:16](=[O:17])([c:18]3[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]3)=[O:25])[CH2:14][CH2:15]2)[c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]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])([CH:11]2[CH2:12][NH:13][CH2:14][CH2:15]2)[c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:6][cH:7]1.[OH2:17]

Participants

10

Reactant 7

HCID 260Hydrogen BromideHCID 923Sodium ionHCID 961HydroxideHCID 996PhenolHCID 6212ChloroformHCID 71081OxalateHCID 15020356HCID 15020356, compound

Product 3

HCID 962WaterHCID 971Oxalic AcidHCID 15020357HCID 15020357, compound

Sources & evidence

ORD record
ord-2371cdcc5662497f8ffe1530470c6eba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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