{"id":"W3133979678","doi":"10.1002/ejoc.202100188","title":"Atroposelective Synthesis, Structure and Properties of a Novel Class of Axially Chiral <i>N</i>‐Aryl Quinolinium Salt","year":2021,"lang":"en","type":"article","venue":"European Journal of Organic Chemistry","topic":"Axial and Atropisomeric Chirality Synthesis","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Engineering and Physical Sciences Research Council; Queen's University; Queen's University Belfast","keywords":"Chemistry; Atropisomer; Solvatochromism; Aryl; Axial symmetry; Molecule; Enantioselective synthesis; Salt (chemistry); Axial chirality; Combinatorial chemistry; Ring (chemistry); Stereochemistry; Computational chemistry; Crystallography; Organic chemistry; Catalysis; Alkyl","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0002190951,0.0002867058,0.0007126983,0.00002752999,0.00006286087,0.00002879678,0.0004166764,0.00009178574,0.0009459791],"category_scores_gemma":[0.0007604256,0.0002396126,0.0002561899,0.0001952923,0.0002943103,0.000104474,0.0002100476,0.000482106,0.000001125182],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005933725,"about_ca_system_score_gemma":0.0003949777,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003466877,"about_ca_topic_score_gemma":0.000001511466,"domain_scores_codex":[0.9979826,0.00006256187,0.00101254,0.0002798639,0.000408906,0.0002535542],"domain_scores_gemma":[0.9978727,0.00009082629,0.001085892,0.0003388035,0.0004511799,0.0001605773],"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":[0.0001826017,0.0002094582,0.001011249,0.0008763038,0.0003263498,0.00007662865,0.0004849128,0.000004069133,0.9949408,0.000008444629,0.00005825464,0.001820992],"study_design_scores_gemma":[0.0008903568,0.00004967895,0.0008734897,0.0006273137,0.0001958284,0.0008496008,0.0007427717,0.00000861499,0.9950155,0.00002738208,0.0004856392,0.0002338171],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951708,0.001755005,0.00007210533,0.0002924147,0.00007210877,0.00002476276,0.00006964286,0.00001583527,0.002527361],"genre_scores_gemma":[0.9978279,0.0002602913,0.000812953,0.00003165929,0.0005522446,2.506795e-7,0.000003657446,0.00006047533,0.0004506012],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002657103,"threshold_uncertainty_score":0.9999673,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01173089232525158,"score_gpt":0.1933886403086095,"score_spread":0.1816577479833579,"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."}}