Potassium Cation → Ethyl 4-[(3-cyanophenylamino)methyl]-3-nitrobenzoate

HRID 666422Notes

Reaction equation

HRID 666422 reaction equation
[Br:1][CH2:2][c:3]1[c:4]([N+:14](=[O:15])[O-:16])[cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12][cH:13]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][C:33]#[N:34].[K+:30].[K+:31].[NH2:17][c:18]1[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]1>>[CH2:2]([c:3]1[c:4]([N+:14](=[O:15])[O-:16])[cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12][cH:13]1)[NH:17][c:18]1[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 167023-AminobenzonitrileHCID 19660Carbonate IonHCID 13685261Ethyl 4-(bromomethyl)-3-nitrobenzoate

Product 1

HCID 18001123Ethyl 4-[(3-cyanophenylamino)methyl]-3-nitrobenzoate

Sources & evidence

ORD record
ord-39fcde1804b84819bdb1ddadf3dd5ee7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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