Search for strategies by computer: the CONAN approach. Application to steroid and taxane frameworks

被引:8
作者
Barone, R [1 ]
Chanon, M [1 ]
机构
[1] Univ Paul Cezanne, Fac Sci St Jerome, UMR 6178, CNRS,Lab AM3, F-13397 Marseille, France
关键词
computer-aided organic synthesis; retrosynthesis; strategy; steroid; taxane;
D O I
10.1016/j.tet.2005.07.029
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
We describe the CONAN (CONnectivity ANalysis) program the aim of which is to search for strategies by simplification of the target skeleton by different types of disconnection. The options available for the disconnections of the target are: add one bond, delete one or two bonds, search for linear precursors, for convergent strategies, for precursors containing a given number of rings and linear chains, and then disconnection of rings by formal [x+y] reaction types like [2 + 2], [4+ 2], etc. Taxane and steroid skeletons have been studied. CONAN runs on PC's microcomputers. (c) 2005 Elsevier Ltd. All rights reserved.
引用
收藏
页码:8916 / 8923
页数:8
相关论文
共 124 条
[1]  
AKHREM AA, 1990, ZH ORG KHIM+, V26, P1932
[2]  
AKHREM AA, 1990, J ORG CHEM USSR, V26, P1932
[3]  
ANANCHENKO SN, 1963, TETRAHEDRON LETT, P1553
[4]   MICROCOMPUTER AND ORGANIC-SYNTHESIS .3. THE MARSEIL/SOS EXPERT SYSTEM, A NEW GRAPHIC APPROACH - AN ELECTRONIC LAB NOTE FOR ORGANIC-SYNTHESIS [J].
AZARIO, P ;
BARONE, R ;
CHANON, M .
JOURNAL OF ORGANIC CHEMISTRY, 1988, 53 (04) :720-724
[5]   TOTAL SYNTHESIS VON (-)-NORGESTREL [J].
BAIER, H ;
DURNER, G ;
QUINKERT, G .
HELVETICA CHIMICA ACTA, 1985, 68 (04) :1054-1068
[6]   HOLOWin: A fast way to search for tandem reactions with computer. Application to the taxane framework. [J].
Barberis, F ;
Barone, R ;
Chanon, M .
TETRAHEDRON, 1996, 52 (46) :14625-14630
[7]   CONAN (CONNECTIVITY ANALYSIS) - A SIMPLE APPROACH IN THE FIELD OF COMPUTER-AIDED ORGANIC-SYNTHESIS - EXAMPLE OF THE TAXANE FRAMEWORK [J].
BARBERIS, F ;
BARONE, R ;
ARBELOT, M ;
BALDY, A ;
CHANON, M .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1995, 35 (03) :467-471
[8]   AN EXPEDIENT TOTAL SYNTHESIS OF (+/-)-ESTRONE DERIVATIVES [J].
BARLAAM, B ;
BOIVIN, J ;
ELKAIM, L ;
ZARD, SZ .
TETRAHEDRON LETTERS, 1991, 32 (05) :623-626
[9]  
BARLAAM B, 1993, B SOC CHIM FR, V130, P481
[10]  
BARONE R, 2000, MATCH-COMMUN MATH CO, V41, P99