Sodium ion → 3'-Chloro-3-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-5-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester

HRID 960022Notes

Reaction equation

HRID 960022 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:27])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([n:20]([CH3:24])[c:21](=[O:23])[o:22]3)[cH:25]2)[CH3:26])[cH:6][cH:7]1.[C:42](=[O:43])([O-:44])[O-:45].[F:28][c:29]1[cH:30][c:31]([B:39]([OH:40])[OH:41])[cH:32][cH:33][c:34]1[C:35](=[O:36])[O:37][CH3:38].[Na+:46].[Na+:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54]>>[c:2]1(-[c:31]2[cH:30][c:29]([F:28])[c:34]([C:35](=[O:36])[O:37][CH3:38])[cH:33][cH:32]2)[cH:3][c:4]([Cl:27])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([n:20]([CH3:24])[c:21](=[O:23])[o:22]3)[cH:25]2)[CH3:26])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27828183-Fluoro-4-(methoxycarbonyl)benzeneboronic acidHCID 666969815-[2-(4-Bromo-2-chloro-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-3-methyl-3H-benzooxazol-2-one

Product 1

HCID 666970783'-Chloro-3-fluoro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(3-methyl-2-oxo-2,3-dihydro-benzooxazol-5-yl)-propyl]-biphenyl-4-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-0ac3fba269a64bedbe630bc79d3f95bd
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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