{"id":"W1999806452","doi":"10.1002/chem.201002988","title":"Amination with Pd–NHC Complexes: Rate and Computational Studies on the Effects of the Oxidative Addition Partner","year":2011,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":128,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Deprotonation; Carbene; Amination; Amine gas treating; Chemistry; Reactivity (psychology); Oxidative addition; Oxidative phosphorylation; Medicinal chemistry; Catalysis; Computational chemistry; Combinatorial 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":[0.0003363075,0.0001495859,0.0001322556,0.00001282941,0.0003854043,0.00005357617,0.000186263,0.0000198367,0.0001643927],"category_scores_gemma":[0.0003626184,0.00008364379,0.00005994774,0.00008556712,0.0004995374,0.0000710158,0.0000669855,0.0003745784,0.000006690888],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006125683,"about_ca_system_score_gemma":0.00003986355,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":6.209589e-7,"about_ca_topic_score_gemma":4.006182e-7,"domain_scores_codex":[0.9992328,0.00001900359,0.0002496763,0.0001609646,0.0002156251,0.000121922],"domain_scores_gemma":[0.9986036,0.0004909572,0.0004149629,0.0002007108,0.0002375098,0.00005222711],"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":[0.0001759693,0.0002429,0.0005629309,0.0005029888,0.0004544046,0.00006861856,0.005215039,0.0003037997,0.9896333,0.0002187872,0.001570432,0.001050827],"study_design_scores_gemma":[0.001110403,0.00006536817,0.009977696,0.0008698928,0.0001465915,0.0004897643,0.002749987,0.0006000126,0.9827365,0.0005781653,0.0004802821,0.0001953299],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9968361,0.00007510558,0.000105521,0.0000908314,0.00005100242,0.00006992083,0.00002117934,0.00001872566,0.002731652],"genre_scores_gemma":[0.9989809,0.00002027506,0.00004695292,0.00004031329,0.0001516537,0.000007833181,0.00001769126,0.00002168169,0.0007126627],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009414764,"threshold_uncertainty_score":0.3410895,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0334138322284298,"score_gpt":0.2562926344481153,"score_spread":0.2228788022196855,"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."}}