{"id":"W4230459331","doi":"10.1002/ange.202103327","title":"Direct Synthesis of Ketones from Methyl Esters by Nickel‐Catalyzed Suzuki–Miyaura Coupling","year":2021,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Fundamental Research Funds for the Central Universities; National Natural Science Foundation of China; Canada Foundation for Innovation; State Key Laboratory of Clean Energy Utilization; BASF","keywords":"Chemoselectivity; Chemistry; Aryl; Reactivity (psychology); Catalysis; Nucleophile; Alkyl; Catalytic cycle; Carbene; Ether; Amide; Bond cleavage; Coupling reaction; Nickel; Combinatorial chemistry; Ligand (biochemistry); Functional group; Ketone; Medicinal 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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001630206,0.0003242872,0.0006220216,0.00004659881,0.0001287968,0.0000910548,0.0003283441,0.0002492957,0.001379557],"category_scores_gemma":[0.0007850534,0.000352277,0.0003115407,0.0003060861,0.0001992539,0.0001609679,0.0001661264,0.0002519694,0.00005555499],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001689024,"about_ca_system_score_gemma":0.0001449638,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009957659,"about_ca_topic_score_gemma":0.00006560618,"domain_scores_codex":[0.9980648,9.14406e-7,0.0005236421,0.0006459243,0.0003739934,0.0003907869],"domain_scores_gemma":[0.9971626,0.001253808,0.0002672509,0.0009627093,0.0001953411,0.0001582858],"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":[0.0000375587,0.0001574715,0.001646481,0.0001427988,0.0003168363,0.00002832708,0.0001876461,0.00002058755,0.9950915,0.000003737873,0.002084089,0.0002829842],"study_design_scores_gemma":[0.0004655027,0.000002399545,0.00006595462,0.0002040893,0.0003127838,0.00001335681,0.0006465542,0.00006440201,0.9942775,0.00003378572,0.003552491,0.000361158],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9912181,0.002500586,0.00001628713,0.0001825151,0.0001714089,0.00004859226,0.0009663632,0.000172966,0.004723104],"genre_scores_gemma":[0.9955909,0.0003124763,0.0001195418,0.00002960178,0.0001727668,0.00004522992,0.0009693649,0.0000767731,0.002683348],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004372719,"threshold_uncertainty_score":0.999893,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01493750272631979,"score_gpt":0.2549780510840961,"score_spread":0.2400405483577763,"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."}}