The International Chemical Identifier for Reactions (RInChI) provides a vendor-neutral, machine-readable string representing chemical reactions. The prototype of RInChI was first released in 2011 and Version 1.00 has been downloadable since 2017. RInChI is starting to be used in databases and cheminformatics software packages, drawing tools are beginning to provide the calculations of RInChIs from reaction depictions and publishers are going ahead with integrating the RInChI into their web pages. We will discuss what has been achieved thus far and plans for the future. This will include adding data to auxiliary information layers, including the ability to assign atom-atom mapping information and chemical process details, such as reaction temperature and yield. Information like this can be used to optimize reaction pathways leading to high levels of automation of smart chemical syntheses. The planned extensions will incorporate future developments of the InChI standard.

Reaction InChI (RInChI): Present and future

2019 Fall National Meeting

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