Bug / Reaction mapping

[Taka Seri]

Dear All,

I am trying to do reaction mapping with indigo TK in python.

When I tried mapping nitro group reduction reaction, the nitrogen atoms are not mapped.

Here is example.

In [2]: indigo = indigo.Indigo()

In [3]: rxn = "c1ccc(N(=O)=O)cc1>>c1ccc(N)cc1"

In [4]: rxnobj = indigo.loadReaction(rxn)

In [5]: rxnobj.automap()
Out[5]: 1

In [6]: rxnobj.smiles()
Out[6]: '[cH:1]1[cH:9][cH:8][c:4](N(=O)=O)[cH:3][cH:2]1>>[cH:1]1[cH:9][cH:8][c:4](N)[cH:3][cH:2]1'

In [7]: rxnobj.canonicalSmiles()
Out[7]: 'O=N(=O)[c:6]1[cH:1][cH:4][cH:3][cH:5][cH:2]1>>N[c:6]1[cH:1][cH:4][cH:3][cH:5][cH:2]1'

I would like to map nitrogen atoms which changed in the reaction.

Any advice and suggestions will be greatly appreciated.

Kind regards,

P.S. Indigo TK version is indigo-python-1.3.0beta.r342-linux

Taka