Acetone → 4-Biphenylcarboxylic acid, 4'-chloro-

HRID 1209538Notes

Reaction equation

HRID 1209538 reaction equation
[C:16]([O-:17])(=[O:18])[OH:19].[C:51](#[N:52])[CH3:53].[CH2:21]([N:22]([CH2:23][C:24]([OH:25])=[O:26])[CH2:27][C:28]([OH:29])=[O:30])[CH2:31][N:32]([CH2:33][C:34]([OH:35])=[O:36])[CH2:37][C:38]([OH:39])=[O:40].[CH3:47][C:48]([CH3:49])=[O:50].[CH3:58][OH:59].[CH:60]([Cl:61])([Cl:62])[Cl:63].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15]2)[cH:6][cH:7]1.[Cl:55][CH2:56][Cl:57].[ClH:46].[Na+:20].[Na+:45].[OH2:54].[S:41](=[O:42])([OH:43])[O-:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:17])[cH:14][cH:15]2)[cH:6][cH:7]1

Participants

13

Reactant 12

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 6049Ethylenediaminetetraacetic AcidHCID 6212ChloroformHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 104748BisulfiteHCID 5925704'-Chloro[1,1'-biphenyl]-4-carbaldehyde

Product 1

HCID 6160024-Biphenylcarboxylic acid, 4'-chloro-

Sources & evidence

ORD record
ord-9a46d438250746f5a144bbbaa208671d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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