Acetate → 4-(3-Methanesulfonyl-phenoxy)-benzoic acid methyl ester

HRID 123866Notes

Reaction equation

HRID 123866 reaction equation
[Br:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:5][cH:6][cH:7]1.[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH3:12][O:13][C:14]([c:15]1[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]1)=[O:22].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[K+:49].[K+:50].[K+:51].[P:44]([O-:45])([O-:46])([O-:47])=[O:48].[Pd+2:63].[c:23]1(-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][c:34]1[P:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[C:40]([CH3:41])([CH3:42])[CH3:43]>>[c:2]1([O:21][c:18]2[cH:17][cH:16][c:15]([C:14]([O:13][CH3:12])=[O:22])[cH:20][cH:19]2)[cH:3][c:4]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 7456MethylparabenHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 2757146Benzene, 1-bromo-3-(methylsulfonyl)-

Product 1

HCID 671652314-(3-Methanesulfonyl-phenoxy)-benzoic acid methyl ester

Sources & evidence

ORD record
ord-f1b1327bb2e040f9a4a548715f32075b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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