Potassium Cation → 4-(2-Methylthiophenyl)benzoic acid

HRID 1228584Notes

Reaction equation

HRID 1228584 reaction equation
[Br:1][c:2]1[c:3]([S:8][CH3:9])[cH:4][cH:5][cH:6][cH:7]1.[C:10](=[O:11])([OH:12])[c:13]1[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]1.[C:22](=[O:23])([O-:24])[O-:25].[CH2:29]1[O:30][CH2:31][CH2:32][O:33][CH2:34]1.[K+:26].[K+:27].[OH2:28].[Pd:35]([Cl:36])[Cl:37].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1(-[c:16]2[cH:15][cH:14][c:13]([C:10](=[O:11])[OH:12])[cH:18][cH:17]2)[c:3]([S:8][CH3:9])[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 881662-BromothioanisoleHCID 3121834-Carboxyphenylboronic Acid

Product 1

HCID 225963254-(2-Methylthiophenyl)benzoic acid

Sources & evidence

ORD record
ord-aa2cb02ed100404186613a118499e11e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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