Potassium Cation → 6-(2-Propyl-3,4-dichlorophenoxy)hexanoic acid

HRID 100514

Reaction equation

HRID 100514 reaction equation
[Br:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[OH:21].[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([OH:12])[cH:6][cH:7][c:8]([Cl:11])[c:9]1[Cl:10].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH3:33][N:34]([P:35]([N:36]([CH3:37])[CH3:38])([N:39]([CH3:40])[CH3:41])=[O:42])[CH3:43].[H-:22].[I-:25].[K+:24].[Na+:23].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:26]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([O:12][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[OH:21])[cH:6][cH:7][c:8]([Cl:11])[c:9]1[Cl:10]

Participants

11

Reactant 10

HCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 12679HexamethylphosphoramideHCID 202106-Bromohexanoic acidHCID 30165Iodide IonHCID 166653HydrideHCID 6003603,4-Dichloro-2-propylphenol

Product 1

HCID 142330466-(2-Propyl-3,4-dichlorophenoxy)hexanoic acid

Sources & evidence

ORD record
ord-4dceb46ce5b24e67b08fbfc11da8e52f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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