#!/usr/bin/env python
# ch28-1.py

from openeye.oechem import *

umr = OEUniMolecularRxn("[N:1]>>[Nh3+:1]")

mol = OEGraphMol()
OEParseSmiles(mol, "NCCN")

umr(mol)

smi = OECreateSmiString(mol)
print "smiles = ", smi