Why does this not work?

We have created a standardization with the step as in the attachment. Why does it not recognize this structure?





O=C1CC=C2C=CN=CC2=N1

Hi,





If you replace the single bond between atoms mapped 5 and 6 with "single or aromatic" bond in your transformation then it will work. This bond is aromatic in your compound.

Code:

standardize -c "[H:8][C:3]1[C,N:7]=[#6,#7:6][#6,#7:5]=[C,N:4][C:1]1=[O:2]>>[H:8][O:2][C:1]1=[C:3][C,N:7]=[#6,#7:6][#6,#7:5]=[C,N:4]1" "O=C1CC=C2C=CN=CC2=N1" OC1=CC=C2C=CN=CC2=N1

Best regards,


Zsolt

True. I tried that. But to cover all cases the two other bonds have to be "double or aromatic" too. I hope that is the most general case.