Aromatize/Dearomatize doesn't work for Phenylalanine mustard (Aromatic molecule from Template Library)

AlexeyGirin commented 10 months ago

Steps to Reproduce

Put Phenylalanine mustard (Aromatic molecule from Template Library) on the canvas
Press Aromatize button (Alt+A) or Dearomatize button (Ctrl+Alt+A)

https://github.com/epam/Indigo/assets/26869421/c5afb6c1-6e03-4616-9579-90a90a39b7da

Actual behavior System throws exception:

Expected behavior System aromatize the molecule

Issue found while testing https://github.com/epam/Indigo/issues/1446

Desktop (please complete the following information):

OS: Win10
Browser Chrome Version 120.0.6099.130 (Official Build) (64-bit)

Ketcher version [e.g. v2.4.2]. Ketcher Version 2.18.0+dev.1 Build at 2024-01-11; 13:21:50 Indigo Toolkit Version 1.18.0-dev.4+1452.0-gaf1efce67-x86_64-linux-gnu-11.4.0

AliaksandrDziarkach commented 10 months ago

It is not a query-specific issue

AlexeyGirin commented 9 months ago

Should work, with/out exceptions

AlexeyGirin commented 9 months ago

Seems something is wrong with bond type

AliaksandrDziarkach commented 9 months ago

Minimal structure to reproduce:

  Ketcher  1252418 82D 1   1.00000     0.00000     0

  2  2  0  0  0  0  0  0  0  0999 V2000
   14.5296   -8.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7822  -10.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  10    0  0
  1  2  7  10    0  0
M  END

AlexeyGirin commented 7 months ago

Moved to Refined Backlog since not fixed over 2 releases

epam / Indigo

Aromatize/Dearomatize doesn't work for Phenylalanine mustard (Aromatic molecule from Template Library) #1528