{"id":"W2188233220","doi":"10.1039/c5qo00334b","title":"Mechanism, chemoselectivity and enantioselectivity for the rhodium-catalyzed desymmetric synthesis of hydrobenzofurans: a theoretical study","year":2015,"lang":"en","type":"article","venue":"Organic Chemistry Frontiers","topic":"Asymmetric Hydrogenation and Catalysis","field":"Chemistry","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Fundamental Research Funds for the Central Universities; University of Toronto; Chongqing University; Central University Basic Research Fund of China; National Natural Science Foundation of China; University of Ottawa","keywords":"Desymmetrization; Chemoselectivity; Chemistry; Rhodium; Catalysis; Mechanism (biology); Combinatorial chemistry; Organic chemistry; Enantioselective synthesis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004301052,0.0005091825,0.0003369506,0.0002888335,0.000352587,0.0004578092,0.0006990866,0.0003745383,0.004190139],"category_scores_gemma":[0.0004540477,0.0002638134,0.0004941341,0.0001087427,0.0006902062,0.0007915375,0.0002779766,0.0005346126,0.0004697189],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007863726,"about_ca_system_score_gemma":0.0004313473,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009793964,"about_ca_topic_score_gemma":0.0009691327,"domain_scores_codex":[0.9999121,0.00001940152,0.000004064415,0.00001571771,0.00002383962,0.00002480442],"domain_scores_gemma":[0.9998918,0.00005362425,0.00001841673,0.00001618069,0.00001250987,0.0000074273],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0007402597,0.0004713778,0.001554586,0.001292416,0.000115069,0.001280396,0.0004807448,0.04971875,0.5014854,0.4094764,0.001354453,0.03203009],"study_design_scores_gemma":[0.0003344679,0.001235943,0.003145512,0.00007106506,0.0001528307,0.001526329,0.0006074687,0.3200302,0.6075626,0.05354237,0.01164476,0.0001464447],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9203281,0.005850893,0.0322369,0.001233475,0.0001081661,0.0001466312,0.0001964248,0.0001239222,0.03977537],"genre_scores_gemma":[0.9949169,0.001661118,0.001781343,0.00002746219,0.00001213041,0.00002518686,0.00003312439,0.000008845163,0.001533907],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004190139,"threshold_uncertainty_score":0.01401746,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0102562972869882,"score_gpt":0.2224010359263396,"score_spread":0.2121447386393513,"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."}}