Apply rule to all reaction centers at once

Hello!

Simple example. I have aspartic acid and I need to produce aspartic acid with all COOH methylated . If I specify reaction rule like COOH>>COOC reactor methylates only one COOH group. Then to get fully methylated compound I should run this twice. If I have compounds with more COOH I should run it more times. Is it possible to methylate all COOH groups simultaneously in one step using reactor independent on the number of such groups in compounds?

Pavel.

There is an option in Reactor to set the ratio of the reactants (-X).

Command line example:

> react -r "[H]OC=O>>COC=O" -X 2 "NC(CC(O)=O)C(O)=O"

COC(=O)CC(N)C(=O)OC

What is your version of reactor? My version of reactor (15.9.28.0) returns three molecules where only the second one is valid.

C[O](C)C(=O)CC(N)C(O)=O
COC(=O)CC(N)C(=O)OC
C[O](C)C(=O)C(N)CC(O)=O

I have to update my installation to the lastest version?

My Reactor version is 15.11.16.0, but it should work with 15.9.28.0 as well.

Did you use the command I posted in my example?

Oh, sorry, the little stupid mistake crept in my command.

Now it works. Thank you!