Benzene → Methyl 8-cyano-5,6-dihydro-2-naphthoate

Reaction equation

[CH3:16][Si:17]([CH3:18])([CH3:19])[C:20]#[N:21].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:13]([cH:14]1)[C:12](=[O:15])[CH2:11][CH2:10][CH2:9]2.[I-:39].[I-:41].[P:28]([Cl:29])([Cl:30])([Cl:31])=[O:32].[Zn+2:40].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1.[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:13]([cH:14]1)[C:12]([C:20]#[N:21])=[CH:11][CH2:10][CH2:9]2

Participants

Reactant 7

HCID 241Benzene

HCID 1049Pyridine

HCID 24813Phosphorus oxychloride

HCID 30165Iodide Ion2×

HCID 32051Zinc(2+)

HCID 82115Trimethylsilyl cyanide

HCID 10987358Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Product 1

Sources & evidence

ORD record: ord-af229d0ec49a4702853bffc102df38cb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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