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Published on 7 March 2025
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Shi,Y. (2025). Basics of Retrosynthesis Analysis. Applied and Computational Engineering,136,85-91.
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Basics of Retrosynthesis Analysis

Yichen Shi *,1,
  • 1 Shanghai World Foreign Language Academy, Baihua Street 400, Shanghai, China

* Author to whom correspondence should be addressed.

https://doi.org/10.54254/2755-2721/2025.21322

Abstract

Retrosynthesis is a crucial strategy in organic chemistry, allowing chemists to deconstruct complex molecules into simpler starting materials by working backward from a target structure. This paper introduces fundamental concepts of retrosynthesis, including various bond-breaking techniques such as heterolysis and homolysis, and the use of synthetic equivalents. By examining single-functional and two-functional-group disconnections, we explore methods for identifying efficient synthesis pathways. Additional retrosynthetic strategies, like functional group interconversion and electrocyclic disconnection, are discussed to address unique challenges in synthesis planning. Through guiding principles and real-world examples, this paper demonstrates how retrosynthesis facilitates efficient and creative molecule construction, ultimately enhancing our ability to design complex chemical syntheses.

Keywords

Chemistry, Organic chemistry, Synthesis, Retrosynthesis

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Cite this article

Shi,Y. (2025). Basics of Retrosynthesis Analysis. Applied and Computational Engineering,136,85-91.

Data availability

The datasets used and/or analyzed during the current study will be available from the authors upon reasonable request.

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About volume

Volume title: Proceedings of the 5th International Conference on Materials Chemistry and Environmental Engineering

Conference website: https://2025.confmcee.org/
ISBN:978-1-83558-963-2(Print) / 978-1-83558-964-9(Online)
Conference date: 17 January 2025
Editor:Harun CELIK
Series: Applied and Computational Engineering
Volume number: Vol.136
ISSN:2755-2721(Print) / 2755-273X(Online)

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