Water → 2-Acetyl-6-methylphenyl cyclohexanecarboxylate

HRID 2349673Notes

Reaction equation

[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:11])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1.[CH:12]1([C:18](=[O:19])[Cl:20])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1.[OH2:21].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([O:11][C:18]([CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)=[O:19])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1

Participants

Reactant 4

HCID 962Water

HCID 1049Pyridine

HCID 75938Cyclohexanecarbonyl chloride

HCID 2404371-(2-Hydroxy-3-methylphenyl)ethan-1-one

Product 1

HCID 146504262-Acetyl-6-methylphenyl cyclohexanecarboxylate

Sources & evidence

ORD record: ord-fb2492cd8db249e880ff6a70e2c579df
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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