{"id":"W3019780126","doi":"10.1021/acs.organomet.0c00161","title":"Catalytic C–H Bond Alkylation of Azoles with Alkyl Halides Mediated by Nickel(II) Complexes of Phenanthridine-Based <i>N</i>^<i>N</i><sup><i>–</i></sup>^<i>N</i> Pincer Ligands","year":2020,"lang":"en","type":"article","venue":"Organometallics","topic":"Catalytic C–H Functionalization Methods","field":"Chemistry","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Benzoxazole; Pincer movement; Alkylation; Benzothiazole; Medicinal chemistry; Alkyl; Catalysis; Phenanthridine; Nickel; Halide; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003829983,0.0006011358,0.001081298,0.0001777197,0.0001820679,0.00004936486,0.0006188798,0.0002688174,0.00190327],"category_scores_gemma":[0.00063589,0.0005533462,0.0002551558,0.001604979,0.0008408494,0.0003248993,0.0002110884,0.0003144232,0.00003180646],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001109343,"about_ca_system_score_gemma":0.0004740994,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001552604,"about_ca_topic_score_gemma":0.00002581421,"domain_scores_codex":[0.9962578,0.0000448518,0.001301874,0.0007877126,0.001112818,0.0004948796],"domain_scores_gemma":[0.9966353,0.0006699189,0.0009648332,0.0007970882,0.0005666359,0.0003662614],"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":[0.0005915181,0.000668827,0.009386293,0.00148719,0.0005309044,0.000008567934,0.001182351,0.006795562,0.9668267,0.001035861,0.01075991,0.0007262743],"study_design_scores_gemma":[0.002712778,0.0002099499,0.0001041926,0.0001710029,0.0003903521,0.00001199027,0.000559176,0.009283121,0.9656077,0.00008585427,0.02024481,0.0006190531],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9589951,0.002319867,0.02471663,0.004065524,0.0001322703,0.0006722623,0.003145885,0.00048139,0.005471081],"genre_scores_gemma":[0.9894066,0.0001367559,0.004499663,0.0008249136,0.0001728018,0.00003758297,0.004260334,0.0001730965,0.0004882665],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0304115,"threshold_uncertainty_score":0.9996918,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01921648920133369,"score_gpt":0.2387516905337962,"score_spread":0.2195352013324625,"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."}}