Route Selection and Reaction Networks

Key features of digraphs are nodes and arrows. The three kinds of nodes are source nodes (Sj), target product nodes (Pi), and intermediate nodes (Ij). Arrows connect the nodes to each other. They correspond to conventional reaction arrows in the forward sense from structure to structure in a sequence. The following conventions are followed in drawing digraphs  

Source nodes are represented as filled dots with (S,) labels. 

Target product nodes are represented as shaded dots with (P ) labels. 

Benzene sulfonic acid Chlorobenzene Nitrobenzene Phenol = Aniline 

Intermediate nodes are represented as open dots with (Ij) labels. 

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Chapter 9 is a key section on parameterizing synthesis strategy. This is an important chapter of the book. Route selection and reaction networks are introduced. All sections are fully illustrated with worked out examples. The reader can glean the essential ideas so that they can then apply them to their own research problems. 

However, the core of this work, covered by Chapters 5, 6, 9 and 10, is dedicated to green metrics, optimization, and the parameterization of synthesis strategy for route selection and reaction networks. This section is extremely important and educational for scientists as it is instructive in teaching chemists how to aitique plans and in ultimately choosing the best possible (and possibly greener) synthetic methodology approach. 

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