Acetate → 2-hydroxy-5-(2-methylphenyl)benzoic Acid

HRID 305728

Reaction equation

HRID 305728 reaction equation
[CH3:12][c:13]1[c:14]([B:19]([OH:20])[OH:21])[cH:15][cH:16][cH:17][cH:18]1.[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2-[c:42]2[c:43]([O:44][CH3:45])[cH:46][cH:47][c:48]([S:49]([O-:50])(=[O:51])=[O:52])[c:53]2[O:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[K+:22].[K+:23].[Na+:61].[O-:24][C:25]([O-:26])=[O:27].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[OH2:62].[Pd+2:63]>>[c:2]1(-[c:14]2[c:13]([CH3:12])[cH:18][cH:17][cH:16][cH:15]2)[cH:3][cH:4][c:5]([OH:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 94475-Chlorosalicylic AcidHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27332672-Methylphenyl boronic acidHCID 863145343-(2-Dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate

Product 1

HCID 41928382-hydroxy-5-(2-methylphenyl)benzoic Acid

Sources & evidence

ORD record
ord-c44a21364ba94e97888ffac03df5d764
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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