Two step synthesis in Reactor?

User 2225b9a678

29-09-2012 12:25:17

Is it possible to do a two step synthesis using rector?


I have a library of carboxylic acids containing an aditional ester on them i would like to use in a reaction. 


The carboxylic acid will be used in the reaction and i would like the final product to have the saponified ester


Is this posible to do in one step?


 


Thanks

ChemAxon d76e6e95eb

01-10-2012 10:52:46

Reactor itself basically takes a reaction scheme and converts the starting compounds to products. So it is a single step only. We have not added multi-step support because the specification of these consecutive steps would not be much simpler than running Reactor twice. Imagine that you need to tell, that the second product of the first reaction step should be fed as the first reactant of the second step.


So these are your alternatives:


- If you need to repeat the same reaction, you can use the ratio property to do it in a single pass (for example 1:3).


- You can use the Reactor nodes in Knime or Pipeline Pilot to create a pipeline of a multistep synthesis.


- You can even create a reaction scheme defining the changes of the two steps in one transform, so you can run the two steps as a single reaction.


- Or simply run Reactor twice using the output of the first step as input for the second. I usually do this.