Acetate → 7-(4-Acetylphenyl)-3-hydroxynaphthalene-2-carboxylic Acid

HRID 676849Notes

Reaction equation

HRID 676849 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([OH:15])[c:8]([C:12](=[O:13])[OH:14])[cH:9][c:10]2[cH:11]1.[C:16]([CH3:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[CH3:34][C:35](=[O:36])[CH3:37].[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[OH2:38].[Pd+2:39]>>[c:2]1(-[c:22]2[cH:21][cH:20][c:19]([C:16]([CH3:17])=[O:18])[cH:24][cH:23]2)[cH:3][cH:4][c:5]2[cH:6][c:7]([OH:15])[c:8]([C:12](=[O:13])[OH:14])[cH:9][c:10]2[cH:11]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 180AcetoneHCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 745032-Naphthalenecarboxylic acid, 7-bromo-3-hydroxy-HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 37021224-Acetylphenylboronic acid

Product 1

HCID 574570427-(4-Acetylphenyl)-3-hydroxynaphthalene-2-carboxylic Acid

Sources & evidence

ORD record
ord-6929cfc54f714aa5aee5b45d32b66cb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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