Toluene → Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

HRID 1204318Notes

Reaction equation

HRID 1204318 reaction equation
[C:12]([CH2:13][C:14](=[O:15])[CH3:16])(=[O:17])[O:18][CH2:19][CH2:20][CH2:21][CH3:22].[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH:1]1([CH3:11])[CH2:2][CH:3]([OH:10])[CH:4]([CH:7]([CH3:8])[CH3:9])[CH2:5][CH2:6]1>>[CH:1]1([CH3:11])[CH2:2][CH:3]([O:10][C:12]([CH2:13][C:14](=[O:15])[CH3:16])=[O:17])[CH:4]([CH:7]([CH3:8])[CH3:9])[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 1254MentholHCID 11576Butyl acetoacetate

Product 1

HCID 102565Butanoic acid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

Sources & evidence

ORD record
ord-d5ef4716d5074eaea5edd7134bc90801
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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