{"id":"W6884478704","doi":"10.1021/ja103081n.s001","title":"Investigation of the Mechanism of C(sp&lt;sup&gt;3&lt;/sup&gt;)−H Bond Cleavage in Pd(0)-Catalyzed Intramolecular Alkane Arylation Adjacent to Amides and Sulfonamides","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Catalytic C–H Functionalization Methods","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Alkane; Intramolecular force; Bond cleavage; Catalysis; Concerted reaction; Lone pair; Reaction mechanism; Phosphine; Reactivity (psychology)","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":[0.0001773017,0.00030313,0.0002029063,0.00008937013,0.0001876388,0.0002492755,0.0004375608,0.0002928765,0.001815934],"category_scores_gemma":[0.0001854252,0.0001564164,0.0002201128,0.00006568099,0.0002732344,0.0003774385,0.0002319541,0.0004480591,0.0003246258],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004052957,"about_ca_system_score_gemma":0.0003322354,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001518231,"about_ca_topic_score_gemma":0.001675832,"domain_scores_codex":[0.9999311,0.000008306175,0.000002849166,0.00001350271,0.00001837614,0.00002587367],"domain_scores_gemma":[0.9999548,0.00001584287,0.000009856208,0.000005466853,0.000006799048,0.000007191562],"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":[0.0006918587,0.0002756434,0.003347185,0.0009510708,0.00008475751,0.00114856,0.000413176,0.01717322,0.9406243,0.01752349,0.0009345787,0.01683221],"study_design_scores_gemma":[0.0001043865,0.001206664,0.006383458,0.00004658541,0.00007259303,0.0004576213,0.0003340448,0.1010973,0.8807355,0.002879458,0.006615791,0.00006674292],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9898005,0.0009330314,0.003576794,0.0001102096,0.00001845198,0.00003818678,0.0001235457,0.00004951265,0.005349746],"genre_scores_gemma":[0.9981356,0.0004834867,0.0006809753,0.00001650128,0.000002779142,0.00001756462,0.00006782031,0.000005141791,0.0005901452],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001815934,"threshold_uncertainty_score":0.006074965,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02723242492700894,"score_gpt":0.2440972584496043,"score_spread":0.2168648335225953,"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."}}