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Reactor's command-line tool: react

React command-line is the high performance, virtual reaction enumeration tool of ChemAxon's Reactor. Reactor provides a handy way to process virtual reactions that rapidly generates compound libraries from starting compounds according to a given reaction equation; moreover, reactions containing rules defined in the Chemical Terms language can provide synthetically feasible products. All Reactor features are accessible via the react command-line tool.

Using the react command-line interface

After installing the JChem suit on your computer, react is available to use. Reactor is platform independent: it is equally available for Microsoft Windows®, Mac OS, and Linux platforms.
Read more about the usage of JChem batch files and shell scripts, such as react.bat and react. To execute Reactor's command-line tool, all you need to do is to open a command line interface and run command react as follows:

    react -r <reaction file/string> [<input file(s)/string(s)>] [<options>]

Note: The syntax of commands can be different under various command line shells (bash, tcsh, zsh, etc.). 


Bode, J. W. Computer Software Reviews. J. Am. Chem. Soc. 2004 , 126(46), 15317-15317.