{"id":"W4415823017","doi":"10.1021/acs.organomet.5c00318","title":"Unexpected Deactivation of PdCl(cinnamyl)(NHC <sup>Cl</sup> ) Precatalysts Mediated by Alkylamines","year":2025,"lang":"en","type":"article","venue":"Organometallics","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University; Carleton University; University of Ottawa","funders":"Alliance de recherche numérique du Canada; Natural Sciences and Engineering Research Council of Canada; Mitacs","keywords":"Catalysis; Reactivity (psychology); Carbene; Reaction conditions; Coupling (piping); Palladium","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001574149,0.0003319513,0.0004971325,0.0002698094,0.0001457998,0.00007522166,0.0004294523,0.0003060213,0.001148584],"category_scores_gemma":[0.001131462,0.0003524727,0.0001598515,0.00154554,0.0001930382,0.0002558473,0.0001512297,0.0003146984,0.00007940592],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002691675,"about_ca_system_score_gemma":0.0002244435,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000212458,"about_ca_topic_score_gemma":0.00004104217,"domain_scores_codex":[0.9979662,0.000003224261,0.0007316005,0.0005331821,0.0003978452,0.0003679723],"domain_scores_gemma":[0.9978952,0.0004446857,0.0003360031,0.0008675157,0.0003491968,0.0001073644],"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":[0.00003547299,0.0003856913,0.003317951,0.0001954749,0.0003021586,0.000002109729,0.0003305111,0.0001806635,0.9919263,0.0001964938,0.002115835,0.001011308],"study_design_scores_gemma":[0.0009137883,0.00001408358,0.001322167,0.00008698173,0.0002025864,0.000007492386,0.0004530319,0.003069672,0.9799209,0.0001735394,0.01351407,0.0003217101],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939939,0.0003551497,0.0004217545,0.0003502428,0.0001081626,0.0001599862,0.0002558007,0.0002874229,0.004067529],"genre_scores_gemma":[0.9854392,0.00007228574,0.00007896921,0.00004284293,0.00007693737,0.00003933244,0.00231937,0.00006105418,0.01186994],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01200546,"threshold_uncertainty_score":0.9998927,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006928090346632412,"score_gpt":0.2427920536271252,"score_spread":0.2358639632804928,"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."}}