Potassium Cation → Ethyl 3-bromo-4-[(3-methyl-2-buten-1-yl)(trifluoroacetyl)amino]-5-nitrobenzoate

Reaction equation

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

Participants

Reactant 5

HCID 813Potassium Cation2×

HCID 6342Acetonitrile

HCID 19660Carbonate Ion

HCID 700922-Butene, 1-bromo-3-methyl-

HCID 86602878Ethyl 3-bromo-5-nitro-4-[(trifluoroacetyl)amino]benzoate

Product 1

HCID 86602879Ethyl 3-bromo-4-[(3-methyl-2-buten-1-yl)(trifluoroacetyl)amino]-5-nitrobenzoate

Sources & evidence

ORD record: ord-3ae4115ead5943e5bd98fb07e2b7d0db
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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