3-Bromobenzoic acid → 3-(4-methoxyphenyl)sulfanylbenzoic Acid

HRID 149496Notes

Reaction equation

HRID 149496 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[OH:10])[cH:5][cH:6][cH:7]1.[CH2:76]1[O:77][CH2:78][CH2:79][O:80][CH2:81]1.[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]([SH:19])[cH:17][cH:18]1.[O:22]=[C:23]([CH:24]=[CH:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH:32]=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[O:40]=[C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Pd:20].[Pd:21]>>[c:2]1([S:19][c:16]2[cH:15][cH:14][c:13]([O:12][CH3:11])[cH:18][cH:17]2)[cH:3][c:4]([C:8](=[O:9])[OH:10])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 114563-Bromobenzoic acidHCID 127654-MethoxybenzenethiolHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×

Product 1

HCID 112424193-(4-methoxyphenyl)sulfanylbenzoic Acid

Sources & evidence

ORD record
ord-30d1af95c240403da498bf581176fd93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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