{"id":"W1995226840","doi":"10.1021/ja202448b","title":"Mechanistic Elucidation of Intramolecular Aminoalkene Hydroamination Catalyzed by a Tethered Bis(ureate) Complex: Evidence for Proton-Assisted C–N Bond Formation at Zirconium","year":2011,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":90,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Hydroamination; Catalytic cycle; Catalysis; Intramolecular force; Ligand (biochemistry); Reactivity (psychology); Kinetic isotope effect; Zirconium; Stereochemistry; Stoichiometry; Medicinal chemistry; Computational chemistry; 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":[],"consensus_categories":[],"category_scores_codex":[0.0003911129,0.0001694969,0.0003961566,0.00004074875,0.0001052755,0.00001665905,0.0004488381,0.00009408767,0.00008399371],"category_scores_gemma":[0.000466454,0.0001277775,0.0005639823,0.0005456937,0.000222969,0.0001930804,0.000086299,0.0001757528,0.00000135727],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005078641,"about_ca_system_score_gemma":0.00007353628,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006436981,"about_ca_topic_score_gemma":0.000001470011,"domain_scores_codex":[0.9983634,0.00003861624,0.0007164396,0.0001727726,0.0005141284,0.0001946623],"domain_scores_gemma":[0.9969302,0.0001782313,0.002100558,0.0002762363,0.0004216087,0.00009313742],"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":[0.0001423091,0.0001550078,0.0002092518,0.0001492288,0.000180255,2.81987e-7,0.0005672,0.000002657912,0.9915657,0.00001073922,0.001749853,0.005267502],"study_design_scores_gemma":[0.0007254585,0.00005651508,0.000215049,0.00006899869,0.0002825565,0.00003466364,0.0005580886,0.00295135,0.994468,0.00008676084,0.0004120342,0.0001404954],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9786106,0.0001155266,0.02048447,0.0002860366,0.00002531954,0.0002547936,0.00004375303,0.00001636309,0.0001630916],"genre_scores_gemma":[0.9962534,0.00004530712,0.003327913,0.0001242438,0.00004449694,0.00004096272,0.00007810038,0.0000211676,0.00006443805],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01764272,"threshold_uncertainty_score":0.5210614,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0416359390645679,"score_gpt":0.2789626693939856,"score_spread":0.2373267303294177,"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."}}