{"id":"W2125445981","doi":"10.1002/chem.201102428","title":"Amination with PdNHC Complexes: Rate and Computational Studies Involving Substituted Aniline Substrates","year":2011,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":103,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Aniline; Deprotonation; Aryl; Reductive elimination; Amination; Medicinal chemistry; Oxidative addition; Reactivity (psychology); Catalysis; Carbene; Derivative (finance); Combinatorial chemistry; Organic chemistry; Ion","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005650559,0.0006255675,0.0008946153,0.0003702069,0.0002895046,0.0006353959,0.001050198,0.0007205379,0.002162338],"category_scores_gemma":[0.001195683,0.0003216928,0.0004844885,0.0004468927,0.0002520629,0.0007031143,0.0002741455,0.0006045411,0.0002751474],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001000422,"about_ca_system_score_gemma":0.0004442474,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004632013,"about_ca_topic_score_gemma":0.004731352,"domain_scores_codex":[0.9998873,0.00002363949,0.000008533012,0.00002408478,0.00002523081,0.00003107276],"domain_scores_gemma":[0.9993638,0.0004529714,0.00005415784,0.00003530779,0.00007322728,0.00002047004],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001002272,0.0006087896,0.006930362,0.001482926,0.0002533924,0.0007269114,0.0002471673,0.9345767,0.03016358,0.006378713,0.001303102,0.01632611],"study_design_scores_gemma":[0.000228552,0.0008625502,0.001423942,0.00003170412,0.0001302723,0.0001335753,0.0001705126,0.9558846,0.03782109,0.00113582,0.002141959,0.00003554209],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9896591,0.0006215437,0.002226878,0.0001007324,0.00001305487,0.00002815155,0.0005359603,0.0000672872,0.00674724],"genre_scores_gemma":[0.9946977,0.0005457936,0.003378239,0.00002260247,0.000006103455,0.00004712709,0.0005524076,0.00002515397,0.0007249558],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004632013,"threshold_uncertainty_score":0.00921011,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05772360217032254,"score_gpt":0.2666907761649117,"score_spread":0.2089671739945891,"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."}}