Input (Reactants) - React CLI

The input file(s)or string(s) provide the reactant molecules. The order of the reactants corresponds to the reactant order in the given reaction equation. If the number of reactants exceeds the number of reactants required by the reaction equation then one input file is taken in place of each reactant. If no input file name is given in the command line, the standard input will be read.

Example (Click here to expand...) 

  1. react -r da.mrv "1,3-butadiene" "ethene" 
    C1CCC=CC1
  2. react -r da.mrv "C=CC=C" "C=C" 
    C1CCC=CC1
  3. react -r da.mrv file1.mrv file2.mrv 
    C1CCC=CC1
    CC1CCC(C)=C(C)C1
    CC1CC(C)=C(C)CC1C

    Note: Results are written to the console.