Chemical Reaction Sequence Searching

  • Glen A. Hopkinson
  • Anthony P. Cook
  • Ian P. Buchan
  • Alison E. Reynolds
Conference paper

Abstract

In this paper we describe how the ORAC reaction database system has been integrated with the LHASA synthesis planning program. This interface allows literature precedents for synthetic steps proposed by LHASA to be retrieved from ORAC and displayed to the user. The problem of sequence searching in reaction database systems is also explored and approaches to this problem are described. Finally, the potential use of synthesis planning systems to identify and classify links between reactions in ORAC for use during sequence searching is considered.

Keywords

Hydrolysis Lithium Amide Adduct Ketone 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1993

Authors and Affiliations

  • Glen A. Hopkinson
    • 1
  • Anthony P. Cook
    • 1
  • Ian P. Buchan
    • 1
  • Alison E. Reynolds
    • 1
  1. 1.ORAC Ltd.LeedsEngland

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