{"id":"W4406683339","doi":"10.1016/j.jorganchem.2025.123526","title":"Regioselective domino C–C/C–O arylation of 1,2,3-triiodobenzenes and 1,3-diketones: Synthesis and in silico evaluation of 7-iodobenzo[b]furan as potential ALK inhibitors","year":2025,"lang":"en","type":"article","venue":"Journal of Organometallic Chemistry","topic":"Synthesis and Biological Evaluation","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; Alberta Glycomics Centre","funders":"Qatar National Library; Deanship of Research, Jordan University of Science and Technology; Qatar University; Jordan University of Science and Technology","keywords":"Chemistry; Regioselectivity; Domino; Furan; In silico; Medicinal chemistry; Stereochemistry; Combinatorial chemistry; Organic chemistry; Catalysis; Biochemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002777567,0.0006573917,0.0003555039,0.0002539198,0.0001864674,0.000276642,0.000361383,0.0002990724,0.001086776],"category_scores_gemma":[0.0001858841,0.0002211601,0.0003671035,0.0003085492,0.000210231,0.0002946081,0.0003185029,0.0004692368,0.0004638249],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003908055,"about_ca_system_score_gemma":0.0004086568,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001167959,"about_ca_topic_score_gemma":0.002949601,"domain_scores_codex":[0.9998463,0.00002835443,0.00001129392,0.00003027856,0.00003159168,0.00005209323],"domain_scores_gemma":[0.9999325,0.000008752623,0.00001950647,0.000007676093,0.00001354024,0.00001785797],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003016659,0.0002678302,0.0004878282,0.0005272747,0.00005280401,0.0003589334,0.00008096356,0.004025574,0.9800238,0.0006890193,0.0005148363,0.01266953],"study_design_scores_gemma":[0.0001018224,0.001803404,0.001006183,0.00002553834,0.00006586571,0.0004315916,0.00003697259,0.003763054,0.982747,0.0001362885,0.009844987,0.00003739988],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.95096,0.01458122,0.02019622,0.0002747498,0.0001172824,0.0004887311,0.001610421,0.0002187523,0.01155266],"genre_scores_gemma":[0.980489,0.005238688,0.01007967,0.00007140565,0.00001390143,0.000141405,0.0006810061,0.00002629529,0.003258709],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001167959,"threshold_uncertainty_score":0.003635585,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01400013551900282,"score_gpt":0.2665676625487489,"score_spread":0.2525675270297461,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}