{"id":"W3159458577","doi":"10.1002/chem.202100580","title":"On the Mechanism of Au‐Catalyzed Enynamide‐yne Dehydro‐Diels‐Alder Reactions: An Experimental and Computational Study","year":2021,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Catalytic Alkyne Reactions","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; National Science Foundation","keywords":"Alkyne; Chemistry; Moiety; Catalysis; Catalytic cycle; Aryl; Dual role; Combinatorial chemistry; Stereochemistry; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004953669,0.0007400122,0.0007438762,0.0004725512,0.0005357902,0.0006607522,0.001134141,0.0005823147,0.004235777],"category_scores_gemma":[0.0004797891,0.0002636327,0.0004903289,0.0003089024,0.0003664666,0.0007360654,0.0002804882,0.0004449138,0.0003253397],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007524864,"about_ca_system_score_gemma":0.0009285215,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004502075,"about_ca_topic_score_gemma":0.004533176,"domain_scores_codex":[0.9999139,0.00001843628,0.000004247034,0.00001148915,0.00002493356,0.00002696552],"domain_scores_gemma":[0.9998031,0.0001191118,0.00002670889,0.00001651988,0.00002590813,0.000008715301],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0003666212,0.0002396198,0.003642772,0.0007258664,0.0001160343,0.0007158727,0.0001461519,0.9290515,0.01587946,0.03775975,0.0008252676,0.01053105],"study_design_scores_gemma":[0.00008872721,0.0001312099,0.0007121586,0.00002894592,0.00004676701,0.00005830104,0.0001042607,0.9846512,0.009802821,0.00308857,0.001269762,0.00001727259],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9579214,0.0009778067,0.01530897,0.0002834556,0.00002301595,0.00009011152,0.001039147,0.0002080172,0.02414802],"genre_scores_gemma":[0.9924366,0.0006445079,0.005287054,0.00003017367,0.000005352324,0.00006921415,0.0004126977,0.00002623773,0.001088188],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004502075,"threshold_uncertainty_score":0.01417005,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02315505762508293,"score_gpt":0.2635129256799092,"score_spread":0.2403578680548263,"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."}}