{"id":"W4399697589","doi":"10.1139/cjc-2024-0025","title":"Structural determination of a carbocation-derived rearrangement product observed during Thiele cage opening: insight into the mechanism of an alkyl-extended pinacol reaction","year":2024,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Synthetic Organic Chemistry Methods","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Carbocation; Chemistry; Stereospecificity; Alkyl; Pinacol; SN1 reaction; Reaction mechanism; Stereochemistry; Reaction intermediate; Aryl; Photochemistry; Organic chemistry; Catalysis; Nucleophile","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":true,"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":[0.00009384062,0.0001949397,0.0001187339,0.0002465375,0.0001450888,0.0002746887,0.0002651054,0.0003028463,0.001571319],"category_scores_gemma":[0.000240661,0.0001588195,0.000137793,0.0001170029,0.000400411,0.0004809551,0.000192268,0.0004483519,0.0002579076],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000183447,"about_ca_system_score_gemma":0.0001481054,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004630524,"about_ca_topic_score_gemma":0.0007786449,"domain_scores_codex":[0.9999274,0.000006481639,0.000002973805,0.00002258499,0.00001747624,0.00002301033],"domain_scores_gemma":[0.9998736,0.00003000848,0.0000513756,0.00001517571,0.00001415605,0.00001559899],"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":[0.00007805698,0.00000866369,0.000612727,0.00003417725,0.000004076934,0.0003815834,0.0000994469,0.0001421378,0.9973252,0.0002697713,0.00001403481,0.001030114],"study_design_scores_gemma":[0.000006910533,0.0001883753,0.006638128,0.000004901629,0.000009191037,0.0005316248,0.0001171781,0.001046132,0.9906973,0.00009900595,0.0006487234,0.00001250125],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995451,0.0002411178,0.002387437,0.0000328288,0.000003844044,0.00001988693,0.0001327161,0.00003165541,0.00169959],"genre_scores_gemma":[0.9979703,0.0001315462,0.001267722,0.00001133028,0.000001924463,0.0000100775,0.0001418585,0.000008714163,0.0004565808],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001571319,"threshold_uncertainty_score":0.005256593,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02295906935825953,"score_gpt":0.2606921764238677,"score_spread":0.2377331070656082,"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."}}