{"id":"W2897603583","doi":"10.1021/acs.organomet.8b00605","title":"Probing the Influence of PAd-DalPhos Ancillary Ligand Structure on Nickel-Catalyzed Ammonia Cross-Coupling","year":2018,"lang":"en","type":"article","venue":"Organometallics","topic":"Catalytic Cross-Coupling Reactions","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Dalhousie University","keywords":"Steric effects; Chemistry; Reductive elimination; Catalysis; Ligand (biochemistry); Aniline; Nickel; Combinatorial chemistry; Ammonia; Stereochemistry; Computational 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002767391,0.0005126293,0.0005797371,0.0001390761,0.0002685602,0.0004383929,0.0007285196,0.0004255542,0.001685999],"category_scores_gemma":[0.0005034925,0.0001954472,0.0002856731,0.0001543372,0.0002722062,0.0004312336,0.0003109601,0.0005632647,0.0002764103],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005208584,"about_ca_system_score_gemma":0.0003926116,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002984246,"about_ca_topic_score_gemma":0.003882645,"domain_scores_codex":[0.9999083,0.00001809482,0.000004132407,0.00001738306,0.00002724189,0.00002469292],"domain_scores_gemma":[0.9998406,0.00009219222,0.0000223976,0.00001348072,0.00002076675,0.00001052405],"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":[0.001228714,0.000753207,0.008958631,0.00219567,0.0002578791,0.001469428,0.0002818326,0.6853926,0.2637761,0.01097293,0.001132553,0.0235805],"study_design_scores_gemma":[0.0001538902,0.002261408,0.004226724,0.00006540945,0.000176102,0.0002397299,0.0002779331,0.7735195,0.2141774,0.001349186,0.003481695,0.00007096717],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949026,0.0003263883,0.00150052,0.00004256271,0.000008375678,0.00001077892,0.0001483362,0.00005333501,0.00300719],"genre_scores_gemma":[0.9978174,0.0002733019,0.001433667,0.00001733113,0.000002387231,0.000016886,0.0001399425,0.00001364437,0.0002854301],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002984246,"threshold_uncertainty_score":0.005933762,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01235378064773488,"score_gpt":0.2669023363323231,"score_spread":0.2545485556845882,"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."}}