{"id":"W4366976764","doi":"10.1021/acs.inorgchem.3c00427","title":"Secondary Coordination Sphere Alkylation Promotes Cyclometalation","year":2023,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Natural Sciences and Engineering Research Council of Canada; Council of Ontario Universities; University of Windsor","keywords":"Chemistry; Coordination sphere; Diphosphines; Medicinal chemistry; Alkylation; Reactivity (psychology); Coordination complex; Lewis acids and bases; Electrophile; Transition metal; Hydroboration; Metal; Chloride; Stereochemistry; Organic chemistry; Catalysis","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":["insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.0001809602,0.0001978711,0.000188126,0.00008065992,0.0001498491,0.00006383955,0.0002187892,0.0002463289,0.0135642],"category_scores_gemma":[0.0002873253,0.000220486,0.0001131808,0.001466273,0.00003965843,0.000213365,0.00008591016,0.0002442856,0.000826878],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001803649,"about_ca_system_score_gemma":0.0001104035,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001312142,"about_ca_topic_score_gemma":0.000003017227,"domain_scores_codex":[0.9985707,0.000009608454,0.0003598361,0.0003945215,0.0003997672,0.0002655021],"domain_scores_gemma":[0.9991137,0.00008040592,0.00019465,0.0003793431,0.0001253088,0.0001065897],"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":[0.000005194915,0.00004726914,0.00195231,0.0001937421,0.0000718735,0.000008129632,0.0001631919,0.00002024678,0.9678854,0.00002451699,0.002699259,0.02692881],"study_design_scores_gemma":[0.0005266747,0.000003381478,0.001232605,0.00002092918,0.00005199367,0.00001856335,0.0004026219,0.003828296,0.9829897,0.00035775,0.01027896,0.0002885103],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9182169,0.0001236511,0.000138169,0.0003803344,0.00006447377,0.00005906663,0.00003743789,0.0006938305,0.0802861],"genre_scores_gemma":[0.9757783,0.00001639495,0.00004665395,0.0000300986,0.00024882,0.00002406319,0.001651172,0.00004221375,0.02216223],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05812386,"threshold_uncertainty_score":0.9999511,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008146725593419132,"score_gpt":0.2215469364930066,"score_spread":0.2134002108995874,"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."}}