Bromide ion → 4-[3-Bromo-5-(8-phenyl-octylcarbamoyl)-3'-trifluoromethyl-biphenyl-2-yloxysulfonyl]-2-hydroxy-benzoic acid

HRID 151886Notes

Reaction equation

HRID 151886 reaction equation
[Br-:50].[Cl:36][S:37](=[O:38])(=[O:39])[c:40]1[cH:41][c:42]([OH:49])[c:43]([C:44](=[O:45])[OH:46])[cH:47][cH:48]1.[K+:51].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16](=[O:17])[c:18]2[cH:19][c:20](-[c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)[c:21]([OH:25])[c:22]([Br:24])[cH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16](=[O:17])[c:18]2[cH:19][c:20](-[c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)[c:21]([O:25][S:37](=[O:38])(=[O:39])[c:40]3[cH:41][c:42]([OH:49])[c:43]([C:44](=[O:45])[OH:46])[cH:47][cH:48]3)[c:22]([Br:24])[cH:23]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 813Potassium CationHCID 146685314-(Chlorosulfonyl)-2-hydroxybenzoic acidHCID 538999065-Bromo-6-hydroxy-3'-trifluoromethyl-biphenyl-3-carboxylic acid (8-phenyl-octyl)-amide

Product 1

HCID 98968714-[3-Bromo-5-(8-phenyl-octylcarbamoyl)-3'-trifluoromethyl-biphenyl-2-yloxysulfonyl]-2-hydroxy-benzoic acid

Sources & evidence

ORD record
ord-8dc22aaa41b3410e9bea25de9129f9e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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