{"id":"W2080836138","doi":"10.1002/ejoc.200800043","title":"On the Mechanism of Gold(I)‐Catalyzed Ring Expansion of Cyclopropanols: Theoretical Calculations Uncover a Bottle‐Neck 1,4‐H Shift and Suggest Adequate Reaction Conditions","year":2008,"lang":"en","type":"article","venue":"European Journal of Organic Chemistry","topic":"Catalytic Alkyne Reactions","field":"Chemistry","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Moiety; Alkyne; Dichloromethane; Molecule; Catalysis; Bifunctional; Ring (chemistry); Cationic polymerization; Computational chemistry; Medicinal chemistry; Stereochemistry; Polymer chemistry; 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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003856081,0.0002096931,0.0003262495,0.00005214238,0.0001477568,0.00001586094,0.0002787747,0.0000751476,0.001528968],"category_scores_gemma":[0.0006583958,0.0001646754,0.0001842923,0.0001977245,0.000422773,0.0001279774,0.0001019801,0.0005522417,0.00001757292],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001107335,"about_ca_system_score_gemma":0.0001593679,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000547848,"about_ca_topic_score_gemma":5.006143e-7,"domain_scores_codex":[0.9983231,0.00006012627,0.0007862006,0.0002110637,0.0004313615,0.000188079],"domain_scores_gemma":[0.9979839,0.0003947837,0.0008045085,0.0004756529,0.0001985132,0.0001426561],"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":[0.0000672005,0.0001560585,0.00006577128,0.00007172084,0.000136968,0.00009246384,0.0005026747,0.00001236308,0.9937842,0.004901482,0.0001270565,0.00008204702],"study_design_scores_gemma":[0.001269467,0.00005509916,0.002388904,0.0004651758,0.000242913,0.002142532,0.0008627704,0.00008276768,0.9907857,0.001348429,0.0001313277,0.0002248719],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9851848,0.0000766199,0.0004287279,0.0002869536,0.00006820492,0.0000535248,0.00005023235,0.00002274723,0.01382815],"genre_scores_gemma":[0.9992171,0.00009795027,0.00007609972,0.00001260553,0.0001537131,0.000001375782,0.00002597084,0.00005296365,0.0003622395],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01403224,"threshold_uncertainty_score":0.9993837,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01201873675969031,"score_gpt":0.2162304077704244,"score_spread":0.2042116710107341,"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."}}