Reactor new

The virtual enumeration of chemical reactions is a powerful concept in systematic compound library design or combinatorial chemistry.

Reactor is the virtual reaction enumeration engine of ChemAxon's JChem technology that is capable of generating chemically feasible products without pre-selection of reagents.

Reactor is able to carry out highly automated reaction enumeration for a given chemical reaction.


What is Reactor?

It is a tool to enumerate reactions. You can write your reactions or choose from a library the one you need, then define the reactants and a few clicks away your reactions are all written up nicely. On any platform you can think of, Reactor works all the same. On this page, you find Reactor explained with a simple example.

Where do you want to use Reactor?

There are more than one way you can reach Reactor. We provide the documentation for each platform in their own documentation. Visit the following pages to get the details on the usage.

Did you know...

... that you can define really smart reactions? With stereoselectivity and regioselectivity rules the reaction outcome will be as real as it gets.

... you can choose from various mapping options?

Click for more!

Reactor features

Chemical reaction representations:

  • Scheme

  • R-group based representation

  • Ready-to-use built-in reaction set

Running modes:

  • Sequential

  • Combinatorial

Result viewing options:

  • Product

  • Whole reaction

  • Fused reaction

Mapping options:

  • Changing atoms

  • Matching atoms

  • Complete

  • No mapping

Improve the reaction outcome by using rules:

  • Reactivity

  • Selectivity

  • Exclude

Manual product selection

Product standardization

Setting reactant ratio

Generate synthesis code

We have still more to read! Check out this table of contents and get all the knowledge!