Chloride → Methyl 1-methyl-4-methylidenecyclohexane-1-carboxylate

Reaction equation

[Br:1][CH2:2][Br:3].[CH2:18]1[O:19][CH2:20][CH2:21][CH2:22]1.[CH3:4][C:5]1([C:12](=[O:13])[O:14][CH3:15])[CH2:6][CH2:7][C:8](=[O:11])[CH2:9][CH2:10]1.[Cl-:17].[Cl-:23].[Cl-:24].[Cl-:25].[Cl-:26].[Na+:16].[Ti+4:27].[Zn:28]>>[CH2:2]=[C:8]1[CH2:7][CH2:6][C:5]([CH3:4])([C:12](=[O:13])[O:14][CH3:15])[CH2:10][CH2:9]1

Participants

Reactant 7

HCID 312Chloride5×

HCID 923Sodium Ion

HCID 3024Dibromomethane

HCID 8028Tetrahydrofuran

HCID 23994Zinc

HCID 114942Titanium cation (4+)

HCID 12568255Methyl 1-methyl-4-oxocyclohexane-1-carboxylate

Product 1

HCID 19004635Methyl 1-methyl-4-methylidenecyclohexane-1-carboxylate

Sources & evidence

ORD record: ord-756472a0964b4af59245be59e4fceb8d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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