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The program is stuck and no error is reported when I extract template.

Open milktea-lab opened this issue 2 years ago • 1 comments

When i extract template from the following reactants and products, Rdchiral is stuck ,does not terminateand and does not report any error:

'reactants': 'CC(C)(C)C(=O)[O:1][C@@H:2]1C@H:3[c:8]1[cH:9][cH:10]c:11[C@H:13]1[O:14]C@@H:15[CH2:24][O:25]C(=O)C(C)(C)C', 'products': '[OH:23][CH2:22][C@H:26]1[O:27]C@@H:5[c:9]1[cH:8][s:12]c:11[C@H:13]1[O:14]C@@H:15[CH2:24][OH:25]'

'reactants': 'CC(C)CC@HC(=O)NC@@HC(=O)N1CCC[C@H]1C(=O)NC@@HC(=O)NC@@HC(=O)NC@@HC(=O)NC@@HC(=O)NC@HC(C)C', 'products': '[CH3:9]C:8([CH3:11])[O:7]C:5[NH:4][CH2:3]C:1O'

'reactants': 'CC(C)(C)C(=O)[O:1][C@@H:2]1C@H:3[c:8]1[cH:9][cH:10]c:11[C@H:13]1[O:14]C@@H:15[CH2:24][O:25]C(=O)C(C)(C)C.[CH3:26][O:27][Na]', 'products': '[OH:23][CH2:22][C@H:26]1[O:27]C@@H:5[c:9]1[cH:8][s:12]c:11[C@H:13]1[O:14]C@@H:15[CH2:24][OH:25]'

'CC(C)(C)C(=O)[O:1][C@@H:2]1C@H:3[c:8]1[cH:9][cH:10]c:11[C@H:13]1[O:14]C@@H:15[CH2:24][O:25]C(=O)C(C)(C)C.[CH3:26][O:27][Na]', 'products': '[OH:23][CH2:22][C@H:26]1[O:27]C@@H:5[c:9]1[cH:8][s:12]c:11[C@H:13]1[O:14]C@@H:15[CH2:24][OH:25]'

milktea-lab avatar Aug 09 '22 03:08 milktea-lab

Same problem here. Have you solved it?

liugangcode avatar Jun 23 '24 01:06 liugangcode