{"id":"W4406088867","doi":"10.1021/acs.organomet.4c00463","title":"Ligand Substitution, Catalyst Activation, and Oxidative Addition Studies of a Stable Dialkyl Palladium Precatalyst","year":2025,"lang":"en","type":"article","venue":"Organometallics","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Catalysis; Palladium; Phosphine; Reductive elimination; Ligand (biochemistry); Oxidative addition; Combinatorial chemistry; Catalytic cycle; Selectivity; Dissociation (chemistry); Organic chemistry","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":[],"consensus_categories":[],"category_scores_codex":[0.0001657536,0.0002126042,0.0003823896,0.0001886991,0.0002590107,0.0000664722,0.0001530021,0.0001203843,0.0001889537],"category_scores_gemma":[0.0009083248,0.0002149487,0.00006941913,0.0007210721,0.0004276136,0.0003282668,0.0001352356,0.0001611583,0.0000127627],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002284254,"about_ca_system_score_gemma":0.0002043619,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001152841,"about_ca_topic_score_gemma":0.0001099797,"domain_scores_codex":[0.9987786,0.000001888317,0.0004332497,0.0003792732,0.0001969953,0.0002099561],"domain_scores_gemma":[0.9984821,0.0003286297,0.0002486826,0.0004494978,0.0004302684,0.00006083104],"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":[0.00003175284,0.0001578104,0.002223892,0.0004210503,0.0005313519,0.000001117379,0.0008616049,0.00002564709,0.9933852,0.001508683,0.0004410218,0.0004109011],"study_design_scores_gemma":[0.0004895928,0.00001047316,0.002084451,0.0001755016,0.0002313702,0.000004424723,0.001206183,0.00003548947,0.9889931,0.0007612098,0.005824805,0.0001834107],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9967341,0.0008805894,0.0003349269,0.0002173758,0.0001152199,0.0001382382,0.0002521133,0.00008425275,0.00124314],"genre_scores_gemma":[0.9948378,0.0004202991,0.00006890825,0.00002077132,0.00006784648,0.00004600143,0.0006660246,0.00002012256,0.003852193],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005383783,"threshold_uncertainty_score":0.8765354,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02067640586634964,"score_gpt":0.2840712706873691,"score_spread":0.2633948648210195,"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."}}