메뉴 건너뛰기




Volumn 9, Issue 11, 2011, Pages 4336-4346

Base-catalyzed reactions of environmentally relevant N-chloro-piperidines. A quantum-chemical study

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS PHASE REACTIONS; AQUEOUS SOLUTIONS; BASE-CATALYZED REACTION; BASIC MEDIA; CONTINUUM SOLVATION MODELS; DEHYDROCHLORINATION REACTION; ELIMINATION REACTION; INTRAMOLECULAR ADDITIONS; ISOXAZOLIDINES; MINIMUM-ENERGY STRUCTURES; NITROGEN INVERSION; PAROXETINE; REACTION BARRIERS; REARRANGEMENT REACTIONS; RING INVERSION; SOLVENT EFFECTS; TRANSITION STATE STRUCTURE; WATER MOLECULE;

EID: 79956262730     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/c1ob05077j     Document Type: Article
Times cited : (9)

References (80)
  • 33
    • 0038348335 scopus 로고    scopus 로고
    • Either in their free forms or in conjugated forms (bounded to glucuronic acid and/or sulfate) For degradation of paroxetine to 1 under acidic condition, see:
    • M. Segura L. Roura R. de la Torre J. Joglar Bioorg. Chem. 2003 31 248
    • (2003) Bioorg. Chem. , vol.31 , pp. 248
    • Segura, M.1    Roura, L.2    De La Torre, R.3    Joglar, J.4
  • 36
    • 0011168832 scopus 로고
    • -1 more stable than the conformer with hydrogen in axial position.
    • F. A. L. Anet I. Yavari Tetrahedron Lett. 1977 37 3207
    • (1977) Tetrahedron Lett. , vol.37 , pp. 3207
    • Anet, F.A.L.1    Yavari, I.2
  • 52
    • 0000599172 scopus 로고
    • Initial configurations were created using a locally modified version of the stochastic search method, see:
    • S. Gronert J. Org. Chem. 1994 59 7046
    • (1994) J. Org. Chem. , vol.59 , pp. 7046
    • Gronert, S.1
  • 55
    • 58449109943 scopus 로고    scopus 로고
    • It has recently been shown that for anions concentrating charge on oxygen atom one single explicit water molecule is required and adequate to account for strong hydrogen bonding interactions between the anion and the solvent.
    • M. A. Addicoat G. F. Metha J. Comput. Chem. 2009 30 57
    • (2009) J. Comput. Chem. , vol.30 , pp. 57
    • Addicoat, M.A.1    Metha, G.F.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.