Acetic Acid → 4-Bromo-3,5-dichlorobenzotrifluoride

HRID 1566914Notes

Reaction equation

HRID 1566914 reaction equation
[Br-:30].[BrH:31].[CH3:32][C:33](=[O:34])[OH:35].[Cl:17][c:18]1[c:19]([NH2:20])[c:21]([Cl:29])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1.[N:1]([O:2][S:3](=[O:4])(=[O:5])[OH:6])=[O:7].[N:8]([O-:9])=[O:10].[Na+:11].[OH2:36].[S:12](=[O:13])(=[O:14])([OH:15])[OH:16]>>[Cl:17][c:18]1[c:19]([Br:30])[c:21]([Cl:29])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 259Bromide ionHCID 260Hydrogen BromideHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 82157Nitrosylsulfuric acidHCID 1410944-Amino-3,5-dichlorobenzotrifluoride

Product 1

HCID 12682564-Bromo-3,5-dichlorobenzotrifluoride

Sources & evidence

ORD record
ord-bd29757ae17e4fa4aa3ae808bb387d63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…