Double bond stereochemistry not preserved in reactions.

[greglandrum]

Reported by Sabrina Syeda. Thread here: http://www.mail-archive.com/[email protected]/msg03080.html

>>rxn = AllChem.ReactionFromSmarts('[CX4:4][CH1:3]=[CH1:2][CX4:5].[Br:1]>>[C:5][C:2]=[C:3][C:4][Br:1]')
>>rxn.Initialize()
>>r = [Chem.MolFromSmiles('CCC\C=C\C(C)C'), Chem.MolFromSmiles('Br')]
>>ps = rxn.RunReactants(tuple(r))
>> for p in ps:
    ...:     for m in p:
    ...:         print Chem.MolToSmiles(m, isomericSmiles= True)
    ...:         
[out] CCC(Br)C=CC(C)C
[out] CCCC=CC(C)(C)Br