Sodium ion → 4-Bromo-2-(trifluoromethoxy)benzoic acid

HRID 1144097Notes

Reaction equation

HRID 1144097 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:10][C:11]([F:12])([F:13])[F:14])[c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[Cl+:28]([O-:29])[O-:30].[Na+:27].[Na+:31].[Na+:36].[Na+:37].[OH2:20].[OH2:21].[OH2:44].[P:22]([O-:23])([OH:24])([OH:25])=[O:26].[S:15]([OH:16])([NH2:17])(=[O:18])=[O:19]>>[Br:1][c:2]1[cH:3][c:4]([O:10][C:11]([F:12])([F:13])[F:14])[c:5]([C:6](=[O:7])[OH:16])[cH:8][cH:9]1

Participants

9

Reactant 8

HCID 923Sodium ion4×HCID 962Water3×HCID 1003DihydrogenphosphateHCID 5987Sulfamic AcidHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 197148ChloriteHCID 187000874-Bromo-2-(trifluoromethoxy)benzaldehyde

Product 1

HCID 166655724-Bromo-2-(trifluoromethoxy)benzoic acid

Sources & evidence

ORD record
ord-7deeb0b95d124e5aa0aa312fd25a39fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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