Potassium Cation → Tert-butyl 4-[cyano(diethoxyphosphoryl)methyl]benzoate

Reaction equation

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

Participants

Reactant 5

HCID 813Potassium Cation3×

HCID 1061Phosphate

HCID 1140Toluene

HCID 75676Diethyl (cyanomethyl)phosphonate

HCID 11334366Tert-butyl 4-bromobenzoate

Product 1

HCID 57925819Tert-butyl 4-[cyano(diethoxyphosphoryl)methyl]benzoate

Sources & evidence

ORD record: ord-8dc3d42670eb4df591cdbb596638e822
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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