A Unimolecular rxn to remove 1 or more protecting groups?

I am using Reactor 5.8 both as a standalone application and in KNIME.

I am looking for a way to have a single unimolecular reaction occur one or more times.  Essentially I'd like to have the reaction remove every single instance of a protecting group and apply the reaction to a set of compounds where the protecting group occurs 1, 2, or 3 times. 

Is there a setting somewhere where I can specify "do the deprotection reaction repeatedly on each molecule until it can't be done again" ?  Removing variable numbers of protecting groups is actually a pretty common occurrence, so I'd like to find a solution to this.

 

Thanks,

Tim 

Hi Tim!

 

In Reactonr 5.8.2 you can set the ratio for a unimolacular reaction to n>=1. In this case, Reactor will refeed the reactant n-1 times to the reaction enumeration, this means that the modified reactant (product of the previous reaction step) will undergo the modification once again. Hence, if you set n=3 then all molecules containing 1, 2 or 3 protecting groups will be freed from their protecting groups.

 

Alternatively you can use Standardizer to achieve this goal. Use the "Transform" standardization actin to define the Boc-removal reaction and simply apply it on your compounds.

 

I hope this helps,

Ivan

Thank you for the suggestions.  I had tried the Ratio > 1 trick in Reactor 5.8.0 and got an "Invalid Ratio" error.  I'll upgrade to 5.8.2 and give it another try.

Tim