Hexane → 1-[4-(4,4-Dimethyl-cyclohex-1-enyl)-3-nitro-phenyl]-ethanone

HRID 305822

Reaction equation

HRID 305822 reaction equation
[Br:1][c:2]1[c:3]([N+:11](=[O:12])[O-:13])[cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1.[CH3:14][C:15]1([CH3:24])[CH2:16][CH:17]=[C:18]([B:21]([OH:22])[OH:23])[CH2:19][CH2:20]1.[CH3:25][CH2:26][O:27][C:28]([CH3:29])=[O:30].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36]>>[c:2]1([C:18]2=[CH:17][CH2:16][C:15]([CH3:14])([CH3:24])[CH2:20][CH2:19]2)[c:3]([N+:11](=[O:12])[O-:13])[cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 877371-(4-Bromo-3-nitrophenyl)ethan-1-oneHCID 441195554,4-Dimethylcyclohexen-1-ylboronic acid

Product 1

HCID 587548131-[4-(4,4-Dimethyl-cyclohex-1-enyl)-3-nitro-phenyl]-ethanone

Sources & evidence

ORD record
ord-b7b71d14c5c440dea5edd245ae92e59f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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