Acetate → 2-Methyl-5-nitrocinnamonitrile

HRID 208494Notes

Reaction equation

[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH2:14]=[CH:15][C:16]#[N:17].[CH2:18]([N:19]([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH2:29][CH3:30].[CH3:1][c:2]1[c:3]([C:4]([Cl:5])=[O:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1.[CH3:31][c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1.[Pd+2:43]>>[CH3:1][c:2]1[c:3]([CH:4]=[CH:15][C:16]#[N:17])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1

Participants

Reactant 6

HCID 175Acetate2×

HCID 7622Tributylamine

HCID 7809P-Xylene

HCID 7855Acrylonitrile

HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

HCID 44365682-Methyl-5-nitrobenzoyl chloride

Product 1

HCID 541228552-Methyl-5-nitrocinnamonitrile

Sources & evidence

ORD record: ord-31b4629be15a428fb9fa1f62fc7f90b8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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