Experimental and quantum-chemical calculations on some 1H-pyrazole-3- carboxamide and -3-carboxylate derivatives formation

Journal of Molecular Structure

Volumn 738, Issue 1-3, 2005, Pages 275-279

  Yildirim, Ismail ^a   Kandemirli, Fatma ^b   Akçamur, Yunus ^a  

^a ERCIYES UNIVERSITY   (Turkey)

^b KOCAELI UNIVERSITY   (Turkey)

Author keywords

Furan 2,3 dione; IR, NMR spectra; MO calculations; Nucleophilic substitution; Pyrazole 3 carboxylic acid

Indexed keywords

ALCOHOLS; DATA REDUCTION; INFRARED SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; REACTION KINETICS; SYNTHESIS (CHEMICAL);

ALIPHATIC DIAMINES; PYRIDINES; QUANTUM-CHEMICAL CALCULATIONS; REACTION MECHANISM;

CARBOXYLIC ACIDS;

1,2 DIAMINOPROPANE; 1H PYRAZOLE 3 CARBOXYLIC ACID; 2 [[(4 BENZOYL 1,5 DIPHENYL 1H PYRAZOL 3 YL)CARBONYL]AMINO] 2 METHYLPROPYL 4 BENZOYL 1,5 DIPHENYL 1H PYRAZOLE 3 CARBOXYLATE; 2 AMINO 2 METHYLPROPANOL; 4 BENZOYL 1,5 DIPHENYL N [2 [[(4 BENZOYL 1,5 DIPHENYL 1H PYRAZOL 3 YL)CARBONYL]AMINO] 1 METHYLETHYL] 1H PYRAZOLE 3 CARBOXAMIDE; 4 BENZOYL 1,5 DIPHENYL N [2 [[(4 BENZOYL 1,5 DIPHENYL 1H PYRAZOL 3 YL)CARBONYL]AMINO]ETHYL] 1H PYRAZOLE 3 CARBOXAMIDE; ALIPHATIC AMINE; AMINOALCOHOL; CARBOXYLIC ACID DERIVATIVE; CHLORIDE; ETHYLENEDIAMINE; PYRAZOLE DERIVATIVE; PYRIDINE; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ARTICLE; CATALYSIS; CATALYST; DRUG STRUCTURE; DRUG SYNTHESIS; QUANTUM CHEMISTRY; REACTION ANALYSIS; STRUCTURE ANALYSIS;

STAPHYLOCOCCUS PHAGE 3A;

EID: 14644431733     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.12.026     Document Type: Article

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