Potassium Cation → {4-[3-(4-Bromo-phenyl)-3-(3'-trifluoromethyl-biphenyl-4-yl)-allylsulfanyl]-2-methyl-phenoxy}-acetic Acid

HRID 201936

Reaction equation

HRID 201936 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][S:11][c:12]2[cH:13][c:14]([CH3:23])[c:15]([O:16][CH2:17][C:18](=[O:19])[OH:20])[cH:21][cH:22]2)[c:24]2[cH:25][cH:26][c:27]([Br:30])[cH:28][cH:29]2)[cH:6][cH:7]1.[F-:44].[F:31][C:32]([c:33]1[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][cH:37][cH:38]1)([F:42])[F:43].[K+:45].[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[c:2]1(-[c:35]2[cH:34][c:33]([C:32]([F:31])([F:42])[F:43])[cH:38][cH:37][cH:36]2)[cH:3][cH:4][c:5]([C:8](=[CH:9][CH2:10][S:11][c:12]2[cH:13][c:14]([CH3:23])[c:15]([O:16][CH2:17][C:18](=[O:19])[OH:20])[cH:21][cH:22]2)[c:24]2[cH:25][cH:26][c:27]([Br:30])[cH:28][cH:29]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 23938Palladium2×HCID 28179Fluoride IonHCID 95417Dibenzylidene acetone3×HCID 27343883-(Trifluoromethyl)phenylboronic acidHCID 10370262{4-[3,3-Bis-(4-bromo-phenyl)-allylsulfanyl]-2-methyl-phenoxy}-acetic acid

Product 1

HCID 66758886{4-[3-(4-Bromo-phenyl)-3-(3'-trifluoromethyl-biphenyl-4-yl)-allylsulfanyl]-2-methyl-phenoxy}-acetic Acid

Sources & evidence

ORD record
ord-7cb4d9bc663948929351734392125eeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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