{"id":"W3137409271","doi":"10.1016/j.jorganchem.2021.121786","title":"Palladium-catalyzed highly regioselective Buchwald-Hartwig amination of 5-substituted-1,2,3-triiodobenzene: Facile synthesis of 2,3-diiodinated N-arylanilines as potential anti-inflammatory candidates","year":2021,"lang":"en","type":"article","venue":"Journal of Organometallic Chemistry","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"Alberta Glycomics Centre; University of Alberta","funders":"Jordan University of Science and Technology","keywords":"Regioselectivity; Chemistry; Amination; Palladium; Steric effects; Combinatorial chemistry; Catalysis; Medicinal chemistry; Organic chemistry","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":[0.0002397541,0.0006214106,0.0002560035,0.0002355671,0.0001694634,0.0002228653,0.0006620074,0.0003438601,0.001466589],"category_scores_gemma":[0.0001484072,0.0001792574,0.0002136577,0.0002475987,0.0001855452,0.0002656937,0.0003533859,0.0004105784,0.0006648607],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000446829,"about_ca_system_score_gemma":0.0003490925,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008145549,"about_ca_topic_score_gemma":0.00262219,"domain_scores_codex":[0.9998273,0.00002934962,0.00001125866,0.00003226003,0.00002633348,0.00007359323],"domain_scores_gemma":[0.9999565,0.000005299392,0.00001271908,0.00000570656,0.000006775221,0.00001299289],"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":[0.0001747901,0.00007544862,0.0001262294,0.0002003714,0.00002512687,0.000268124,0.00009669224,0.0005353962,0.9888109,0.001066928,0.0003284899,0.008291447],"study_design_scores_gemma":[0.00002804481,0.0002869919,0.0005578895,0.00000674455,0.00001595023,0.0002292771,0.00001786576,0.0004901111,0.9913863,0.0001049897,0.006863078,0.00001278606],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9223223,0.01022007,0.03918294,0.0003110832,0.0001362515,0.0002234666,0.001046863,0.0005896591,0.02596737],"genre_scores_gemma":[0.9897146,0.001870882,0.004614347,0.00004710538,0.00001206965,0.00003232353,0.0002515791,0.00002676811,0.00343037],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001466589,"threshold_uncertainty_score":0.004906297,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005890456963931227,"score_gpt":0.2247235647320728,"score_spread":0.2188331077681416,"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."}}