{"id":"W1973918492","doi":"10.1107/s0108270100013603","title":"Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols","year":2001,"lang":"en","type":"article","venue":"Acta Crystallographica Section C Crystal Structure Communications","topic":"Synthesis and Reactivity of Sulfur-Containing Compounds","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Orthoester; Decane; Chemistry; Claisen rearrangement; van der Waals force; Benzyl benzoate; Ethyl benzoate; Olefin fiber; Ethyl acetate; Crystal (programming language); Stereochemistry; Medicinal chemistry; Organic chemistry; Molecule; Catalysis","routes":{"ca_aff":true,"ca_fund":false,"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":[0.00003992844,0.0001421316,0.0001066555,0.000123859,0.0001104424,0.0001585056,0.0001467518,0.00009255475,0.002223916],"category_scores_gemma":[0.00007005625,0.00008065054,0.00008816409,0.0001209075,0.0001545535,0.000133162,0.00007748992,0.0001904985,0.0002144086],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002052265,"about_ca_system_score_gemma":0.0001464662,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009446151,"about_ca_topic_score_gemma":0.002222423,"domain_scores_codex":[0.9999636,0.000003116839,0.00000166229,0.000006554928,0.00001264199,0.00001233721],"domain_scores_gemma":[0.99997,0.000005130874,0.00001240173,0.000002814492,0.000002872623,0.000006848526],"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":[0.0002105789,0.00002367802,0.0006866551,0.00009018257,0.00001188856,0.0002876961,0.00008171999,0.000932002,0.9923861,0.001143418,0.0002141114,0.003932062],"study_design_scores_gemma":[0.00007602132,0.0003373192,0.007573138,0.000004515992,0.00001340826,0.0004165553,0.0001155045,0.001063578,0.9840623,0.0002849939,0.006041561,0.00001120591],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959729,0.000277628,0.0002428497,0.00002070616,0.000003058717,0.000004794764,0.0001431227,0.00001568014,0.003319233],"genre_scores_gemma":[0.9960344,0.0003675073,0.0004525753,0.000011616,0.000002389998,0.000007238847,0.000333152,0.00000744004,0.002783699],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002223916,"threshold_uncertainty_score":0.007439733,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02164772825915449,"score_gpt":0.2536332675410489,"score_spread":0.2319855392818944,"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."}}