Acetate → Methyl 3-cyano-2-methylbenzoate

HRID 2146968Notes

Reaction equation

HRID 2146968 reaction equation
[Br:1][c:2]1[c:3]([CH3:12])[c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][cH:11]1.[CH3:19][NH:20][CH3:21].[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[Na+:13].[Na+:14].[O-:15][C:16](=[O:17])[O-:18].[O-:29][C:30]([CH3:31])=[O:32].[O-:33][C:34]([CH3:35])=[O:36].[Pd+2:28]>>[c:2]1([C:19]#[N:20])[c:3]([CH3:12])[c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][cH:11]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 674DimethylamineHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 12929135Methyl 3-Bromo-2-methylbenzoate

Product 1

HCID 13170186Methyl 3-cyano-2-methylbenzoate

Sources & evidence

ORD record
ord-c98fcbc0995949868e3f895f8679235e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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