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Full Paper
WTDWTR: What To Do With This Reaction? A New Program in the Field of Computer-Aided Synthesis Design – Application to the Diels–Alder Reaction
Article first published online: 18 SEP 2006
DOI: 10.1002/ejoc.200600696
Copyright © 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Barone, R., Attolini, M., Arbelot, M. and Chanon, M. (2006), WTDWTR: What To Do With This Reaction? A New Program in the Field of Computer-Aided Synthesis Design – Application to the Diels–Alder Reaction. European Journal of Organic Chemistry, 2006: 5184–5190. doi: 10.1002/ejoc.200600696
Publication History
- Issue published online: 26 OCT 2006
- Article first published online: 18 SEP 2006
- Manuscript Received: 11 AUG 2006
- Abstract
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Keywords:
- Computer-aided organic synthesis;
- Structure generator;
- Combinatorial chemistry;
- Steroids;
- Diels–Alder
Graphical Abstract
Abstract
We present WTDWTR (What To Do With This Reaction?), which is a new program in the field of computer-aided organic synthesis. WTDWTR tries to answer the question: what kind of structures can be obtained from a given reaction? We present the results that were obtained for the Diels–Alder reaction of structures that possess four fused rings of size 6, 6, 6 and 5 (“isomers” of the steroidal skeleton) for which WTDWTR generated 590 solutions. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)