Acetate → 3-(4-Methanesulfonyl-phenoxy)-5-methoxymethoxy-benzoic acid methyl ester

HRID 694659Notes

Reaction equation

HRID 694659 reaction equation
[C:12]([P:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1-[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)([CH3:30])([CH3:31])[CH3:32].[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:72]([O:73][C:74](=[O:75])[CH3:76])[CH3:77].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1.[CH3:41][O:42][C:43]([c:44]1[cH:45][c:46]([O:51][CH2:52][O:53][CH3:54])[cH:47][c:48]([OH:50])[cH:49]1)=[O:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[K+:38].[K+:39].[K+:40].[P:33]([O-:34])([O-:35])([O-:36])=[O:37].[Pd+2:67]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:50][c:48]2[cH:47][c:46]([O:51][CH2:52][O:53][CH3:54])[cH:45][c:44]([C:43]([O:42][CH3:41])=[O:55])[cH:49]2)[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 8857Ethyl AcetateHCID 770141-Bromo-4-(methylsulphonyl)benzeneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 23136427Methyl 3-hydroxy-5-(methoxymethoxy)benzoate

Product 1

HCID 592633143-(4-Methanesulfonyl-phenoxy)-5-methoxymethoxy-benzoic acid methyl ester

Sources & evidence

ORD record
ord-49d9217eb64647fdb5f502863512006a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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