{"id":"W2003228126","doi":"10.1039/c2dt30994g","title":"Effect of chelating ring size in catalytic ketone hydrogenation: facile synthesis of ruthenium(ii) precatalysts containing an N-heterocyclic carbene with a primary amine donor for ketone hydrogenation and a DFT study of mechanisms","year":2012,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":66,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Ruthenium; Carbene; Ketone; Bifunctional; Amine gas treating; Hydride; Medicinal chemistry; Catalysis; Reactivity (psychology); Transfer hydrogenation; Noyori asymmetric hydrogenation; Acetophenone; Selectivity; Polymer chemistry; Organic chemistry; Metal","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002549097,0.0003869206,0.0004792326,0.0001011172,0.0001239525,0.0003730598,0.0005037596,0.0003679863,0.001273875],"category_scores_gemma":[0.0004852636,0.0002314455,0.0001682684,0.0001111778,0.00023138,0.0004313557,0.000331785,0.0004152299,0.0003767898],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003138821,"about_ca_system_score_gemma":0.0001616215,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004852844,"about_ca_topic_score_gemma":0.0011729,"domain_scores_codex":[0.9998708,0.00001591009,0.00001465754,0.00003589987,0.00003063515,0.00003210416],"domain_scores_gemma":[0.999785,0.0000654604,0.00006177142,0.0000192146,0.00003092122,0.00003777817],"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":[0.0004711426,0.00008997021,0.0002153832,0.0002411966,0.00003116421,0.000110766,0.00005752215,0.0008142915,0.9932021,0.0002266908,0.0001093671,0.004430429],"study_design_scores_gemma":[0.00004918249,0.0006564286,0.000698531,0.0000114885,0.00003872665,0.00009258216,0.00002432788,0.001751289,0.9953708,0.00003327952,0.001259903,0.00001352285],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9956152,0.001379369,0.001206805,0.00004819625,0.00002465956,0.00003507619,0.00008005196,0.000102287,0.001508339],"genre_scores_gemma":[0.9976594,0.0005733991,0.001293961,0.00002915551,0.000004955111,0.00002017838,0.0000449486,0.00002017126,0.0003537026],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001273875,"threshold_uncertainty_score":0.004261494,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009686455496506654,"score_gpt":0.2428768122494282,"score_spread":0.2331903567529216,"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."}}