{"id":"W2313319827","doi":"10.1021/om400871v","title":"Comparison of the Catalytic Activity of [(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>)Ru(2,2′-bipyridine)(L)]OTf versus [(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>)Ru(6,6′-diamino-2,2′-bipyridine)(L)]OTf (L = labile ligand) in the Hydrogenation of Cyclohexanone. Evidence for the Presence of a Metal–Ligand Bifunctional Mechanism under Acidic Conditions","year":2013,"lang":"en","type":"article","venue":"Organometallics","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University; University of Guelph","funders":"","keywords":"Chemistry; Steric effects; Ruthenium; Ligand (biochemistry); Bipyridine; Amine gas treating; Protonation; Reactivity (psychology); Bifunctional; Catalysis; Substituent; Medicinal chemistry; Stereochemistry; Cyclohexanone; Crystal structure; Crystallography; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":["metaepi_narrow"],"category_scores_codex":[0.003189521,0.001773872,0.002813511,0.001463218,0.001047632,0.0002524901,0.003334982,0.001198559,0.0001658463],"category_scores_gemma":[0.004612302,0.001383345,0.001990004,0.007224472,0.002214081,0.001777665,0.001023651,0.001767113,0.0001164134],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008124767,"about_ca_system_score_gemma":0.00135064,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002695297,"about_ca_topic_score_gemma":0.0003332862,"domain_scores_codex":[0.9877197,0.0008283766,0.003705154,0.00211042,0.003887351,0.00174902],"domain_scores_gemma":[0.9823833,0.007661596,0.003732488,0.003573401,0.002103488,0.0005457166],"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":[0.0005158969,0.002052974,0.001250727,0.001018744,0.002031252,0.000006403533,0.00221092,0.01581762,0.9680899,0.002125766,0.0008302781,0.004049493],"study_design_scores_gemma":[0.003790855,0.0004063882,0.003083427,0.0004351818,0.002517144,0.00005977441,0.003784974,0.04155616,0.9413685,0.001594665,0.0001577114,0.001245278],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9884769,0.001774069,0.002686038,0.001382723,0.000453264,0.003258245,0.001498337,0.0001763845,0.0002940961],"genre_scores_gemma":[0.995384,0.001587624,0.00009305742,0.0001930786,0.0003592489,0.001226758,0.0008064571,0.0002975629,0.00005217645],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02672149,"threshold_uncertainty_score":0.9995007,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04125032988547717,"score_gpt":0.279722697901356,"score_spread":0.2384723680158788,"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."}}