Cyanide → Benzoic acid, 3-chloro-5-cyano-, methyl ester

HRID 696036Notes

Reaction equation

HRID 696036 reaction equation
[C-:27]#[N:28].[C-:30]#[N:31].[CH3:16][N:17]([CH3:18])[CH:19]=[O:20].[CH3:21][CH2:22][O:23][C:24](=[O:25])[CH3:26].[Cl:13][CH2:14][Cl:15].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([F:12])[cH:11]1.[Cl:32][Pd:33][Cl:34].[Zn+2:29]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([C:16]#[N:17])[cH:11]1

Participants

8

Reactant 7

HCID 5975Cyanide2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 24290Palladium ChlorideHCID 32051Zinc(2+)HCID 21942504Methyl 3-chloro-5-fluorobenzoate

Product 1

HCID 21942517Benzoic acid, 3-chloro-5-cyano-, methyl ester

Sources & evidence

ORD record
ord-11acedefe3354d2399de2ee289baa6a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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