Chlorination of N-methylacetamide and amide-containing pharmaceuticals. Quantum-chemical study of the reaction mechanism

Journal of Physical Chemistry A

Volumn 118, Issue 12, 2014, Pages 2367-2376

  Šakić, Davor ^a   Šonjić, Pavica ^a   Tandarić, Tana ^a   Vrček, Valerije ^a  

^a UNIVERSITY OF ZAGREB   (Croatia)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINATION; QUANTUM CHEMISTRY; RATE CONSTANTS;

ANALOGOUS REACTIONS; AQUEOUS ENVIRONMENT; ENVIRONMENTAL CHEMISTRY; EXPERIMENTAL VALUES; HYPOCHLOROUS ACIDS; N-METHYLACETAMIDE; REACTION MECHANISM; REACTION PATHWAYS;

AMIDES;

ACETAMIDE DERIVATIVE; AMIDE; CARBAMAZEPINE; CHLORINE; N-METHYLACETAMIDE; PARACETAMOL; PHENYTOIN; SOLVENT; WATER;

CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HALOGENATION; MEDICINAL CHEMISTRY; QUANTUM THEORY;

ACETAMIDES; ACETAMINOPHEN; AMIDES; CARBAMAZEPINE; CHEMISTRY, PHARMACEUTICAL; CHLORINE; COMPUTER SIMULATION; HALOGENATION; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHENYTOIN; QUANTUM THEORY; SOLVENTS; WATER;

EID: 84897468999     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp5012846     Document Type: Article

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