Reaction Schemes Visualized in Network Form: The Syntheses of Strychnine as an Example

Representation of synthesis sequences
in a network form provides
an effective method for the comparison of multiple reaction schemes
and an opportunity to emphasize features such as reaction scale that
are often relegated to experimental sections. An example of data formatting
that allows construction of network maps in Cytoscape is presented,
along with maps that illustrate the comparison of multiple reaction
sequences, comparison of scaffold changes within sequences, and consolidation
to highlight common key intermediates used across sequences. The 17
different synthetic routes reported for strychnine are used as an
example basis set. The reaction maps presented required a significant
data extraction and curation, and a standardized tabular format for
reporting reaction information, if applied in a consistent way, could
allow the automated combination of reaction information across different
sources.