Ammonium → 2-(2-Cyano-3-methylamino-4-nitrophenyl)-2-methyl-3-oxobutyric acid ethyl ester

Reaction equation

[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:33][S:34]([CH3:35])=[O:36].[CH3:7][CH:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[C:14](=[O:15])[CH3:16].[Cl-:31].[Cl:17][c:18]1[cH:19][cH:20][c:21]([N+:28](=[O:29])[O-:30])[c:22]([NH:26][CH3:27])[c:23]1[C:24]#[N:25].[K+:6].[NH4+:32]>>[CH3:7][C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])([C:14](=[O:15])[CH3:16])[c:18]1[cH:19][cH:20][c:21]([N+:28](=[O:29])[O-:30])[c:22]([NH:26][CH3:27])[c:23]1[C:24]#[N:25]

Participants

Reactant 7

HCID 223Ammonium

HCID 312Chloride

HCID 679Dimethyl Sulfoxide

HCID 701Ethyl 2-methylacetoacetate

HCID 813Potassium Cation

HCID 45749132-Methylpropan-2-olate

HCID 112180896-Chloro-2-(methylamino)-3-nitrobenzonitrile

Product 1

Sources & evidence

ORD record: ord-3940f2e861f44797bed0fc2abeb822bc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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