{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002369577,0.0005913013,0.0004492069,0.000373612,0.0003851909,0.0004627024,0.000819886,0.0005452925,0.003940669],"category_scores_gemma":[0.0002863349,0.0002536546,0.0004316868,0.0002025398,0.0003914967,0.0005257903,0.0003621455,0.0004198034,0.0003325824],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005372907,"about_ca_system_score_gemma":0.0005985903,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003055377,"about_ca_topic_score_gemma":0.002585778,"domain_scores_codex":[0.9999301,0.00001257722,0.000002139308,0.000008034329,0.00001620701,0.00003087593],"domain_scores_gemma":[0.9998919,0.0000509516,0.00001999587,0.00001302215,0.00001370696,0.00001044572],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005601066,0.0002197655,0.003202088,0.0009180874,0.0001140255,0.001139998,0.0003050806,0.8383501,0.06855051,0.07052706,0.001522657,0.01459058],"study_design_scores_gemma":[0.00008839005,0.000133581,0.001133512,0.00002681296,0.0000415058,0.00004993662,0.0001041638,0.9778665,0.01374685,0.006059995,0.0007280054,0.00002069388],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9491295,0.000741607,0.02802818,0.0003646341,0.00006940827,0.00009201839,0.0003551987,0.000210016,0.0210095],"genre_scores_gemma":[0.9962901,0.0002173834,0.002442697,0.00002475396,0.000005029111,0.0000538592,0.0000767075,0.00002082436,0.0008686974],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003940669,"threshold_uncertainty_score":0.01318288,"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."}}