{"id":"W2936152800","doi":"10.1039/c8ra09884k","title":"Highly diastereoselective construction of novel dispiropyrrolo[2,1-<i>a</i>]isoquinoline derivatives<i>via</i>multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium<i>N</i>-ylides","year":2019,"lang":"en","type":"article","venue":"RSC Advances","topic":"Organic Chemistry Cycloaddition Reactions","field":"Chemistry","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Compute Canada","keywords":"Isoquinoline; 1,3-Dipolar cycloaddition; Cycloaddition; Chemistry; Dipole; Computational chemistry; Medicinal chemistry; Combinatorial chemistry; Organic chemistry; Catalysis","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009030028,0.0002909187,0.0001406247,0.0001444184,0.0001023628,0.0001654633,0.0002549398,0.000123851,0.001404056],"category_scores_gemma":[0.00007244345,0.00009469286,0.0001516859,0.0001289121,0.00009568772,0.0001543148,0.0002061872,0.0002763391,0.000483536],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001787769,"about_ca_system_score_gemma":0.0001818757,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002967638,"about_ca_topic_score_gemma":0.001265123,"domain_scores_codex":[0.9999367,0.000007327936,0.00000607323,0.00001446363,0.00001390222,0.00002142161],"domain_scores_gemma":[0.9999727,0.000002685645,0.000009299685,0.000003592604,0.000004321086,0.000007428199],"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":[0.0001092134,0.00007675434,0.0002223544,0.0002190924,0.00001124592,0.0004109828,0.00007429338,0.001127097,0.9854242,0.002444672,0.0003719604,0.009508013],"study_design_scores_gemma":[0.00003442741,0.0005458974,0.001413071,0.0000114832,0.00001445298,0.00034414,0.00002972839,0.002016976,0.9840859,0.0002456603,0.0112419,0.00001646883],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9569691,0.001472996,0.01788469,0.0001039616,0.0001077574,0.0001788583,0.0008276088,0.000223179,0.022232],"genre_scores_gemma":[0.990052,0.0006704606,0.006159249,0.00002664513,0.000006051993,0.00003753594,0.0002692919,0.00001911228,0.002759746],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001404056,"threshold_uncertainty_score":0.004697025,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00826706303823497,"score_gpt":0.235774821052107,"score_spread":0.227507758013872,"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."}}