{"id":"https://openalex.org/W7204955512","doi":"https://doi.org/10.26434/chemrxiv.15001213/v3","title":"Substrate-adaptive reaction development enables modular access to functionalized activated olefins","display_name":"Substrate-adaptive reaction development enables modular access to functionalized activated olefins","publication_year":2026,"publication_date":"2026-09-01","ids":{"openalex":"https://openalex.org/W7204955512","doi":"https://doi.org/10.26434/chemrxiv.15001213/v3"},"language":"en","primary_location":{"id":"doi:10.26434/chemrxiv.15001213/v3","doi":"https://doi.org/10.26434/chemrxiv.15001213/v3","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15001213/v3","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15001213/v3","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15001213/v3","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5130586041","display_name":"Shaoting Peng","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I120250893","display_name":"New York University Abu Dhabi","ror":"https://ror.org/00e5k0821","country_code":"AE","type":"education","lineage":["https://openalex.org/I120250893","https://openalex.org/I57206974"]}],"countries":["AE"],"is_corresponding":false,"raw_author_name":"Shaoting Peng","raw_affiliation_strings":["Chemistry Program, New York University Abu Dhabi (NYUAD), Saadiyat Island, United Arab Emirates (UAE"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Program, New York University Abu Dhabi (NYUAD), Saadiyat Island, United Arab Emirates (UAE","institution_ids":["https://openalex.org/I120250893"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5094047708","display_name":"Woonkee S. Jo","orcid":"https://orcid.org/0000-0001-5838-528X","observed_orcids":["https://orcid.org/0000-0001-5838-528X"]},"institutions":[{"id":"https://openalex.org/I120250893","display_name":"New York University Abu Dhabi","ror":"https://ror.org/00e5k0821","country_code":"AE","type":"education","lineage":["https://openalex.org/I120250893","https://openalex.org/I57206974"]}],"countries":["AE"],"is_corresponding":false,"raw_author_name":"Woonkee S Jo","raw_affiliation_strings":["Chemistry Program, New York University Abu Dhabi (NYUAD), Saadiyat Island, United Arab Emirates (UAE"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Program, New York University Abu Dhabi (NYUAD), Saadiyat Island, United Arab Emirates (UAE","institution_ids":["https://openalex.org/I120250893"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069670206","display_name":"Daniel Pacheco Guti\u00e9rrez","orcid":"https://orcid.org/0009-0009-9071-5504","observed_orcids":["https://orcid.org/0009-0009-9071-5504"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Daniel Pacheco Gutierrez","raw_affiliation_strings":["Atinary Technologies, route de la Corniche, CH1066 Epalinges, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Atinary Technologies, route de la Corniche, CH1066 Epalinges, Switzerland","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5130598680","display_name":"Chaemin Kim","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I120250893","display_name":"New York University Abu Dhabi","ror":"https://ror.org/00e5k0821","country_code":"AE","type":"education","lineage":["https://openalex.org/I120250893","https://openalex.org/I57206974"]}],"countries":["AE"],"is_corresponding":false,"raw_author_name":"Chaemin Kim","raw_affiliation_strings":["Chemistry Program, New York University Abu Dhabi (NYUAD), Saadiyat Island, United Arab Emirates (UAE"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Program, New York University Abu Dhabi (NYUAD), Saadiyat Island, United Arab Emirates (UAE","institution_ids":["https://openalex.org/I120250893"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5001484132","display_name":"Alan R. Healy","orcid":"https://orcid.org/0000-0002-1231-8353","observed_orcids":["https://orcid.org/0000-0002-1231-8353"]},"institutions":[{"id":"https://openalex.org/I120250893","display_name":"New York University Abu Dhabi","ror":"https://ror.org/00e5k0821","country_code":"AE","type":"education","lineage":["https://openalex.org/I120250893","https://openalex.org/I57206974"]}],"countries":["AE"],"is_corresponding":false,"raw_author_name":"Alan R Healy","raw_affiliation_strings":["Chemistry Program, New York University Abu Dhabi (NYUAD), Saadiyat Island, United Arab Emirates (UAE"],"raw_orcid":"https://orcid.org/0000-0002-1231-8353","affiliations":[{"raw_affiliation_string":"Chemistry Program, New York University Abu Dhabi (NYUAD), Saadiyat Island, United Arab Emirates (UAE","institution_ids":["https://openalex.org/I120250893"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13239","display_name":"Phosphorus compounds and reactions","score":0.13670000433921814,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T13239","display_name":"Phosphorus compounds and reactions","score":0.13670000433921814,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11831","display_name":"Chemical Synthesis and Reactions","score":0.12759999930858612,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13859","display_name":"Organic Chemistry Synthesis Methods","score":0.11810000240802765,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/activated-olefins","display_name":"activated olefins","score":0.9100000262260437},{"id":"https://openalex.org/keywords/malonic-acid-derivatives","display_name":"malonic acid derivatives","score":0.906000018119812},{"id":"https://openalex.org/keywords/aldehydes","display_name":"aldehydes","score":0.8769999742507935},{"id":"https://openalex.org/keywords/alpha-beta-unsaturated-thioesters","display_name":"\u03b1,\u03b2-unsaturated thioesters","score":0.8930000066757202},{"id":"https://openalex.org/keywords/alpha-beta-unsaturated-esters","display_name":"\u03b1,\u03b2-unsaturated esters","score":0.949999988079071},{"id":"https://openalex.org/keywords/alpha-beta-unsaturated-amides","display_name":"\u03b1,\u03b2-unsaturated amides","score":0.9980000257492065},{"id":"https://openalex.org/keywords/bayesian-optimization","display_name":"Bayesian optimization","score":0.8700000047683716},{"id":"https://openalex.org/keywords/horner-wadsworth-emmons-reaction","display_name":"Horner-Wadsworth-Emmons reaction","score":0.8960000276565552}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6093000173568726},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.5831000208854675},{"id":"https://openalex.org/C101468663","wikidata":"https://www.wikidata.org/wiki/Q1620158","display_name":"Modular design","level":2,"score":0.5759999752044678},{"id":"https://openalex.org/C2778012447","wikidata":"https://www.wikidata.org/wiki/Q1034415","display_name":"Scope (computer science)","level":2,"score":0.5342000126838684},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.5135999917984009},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.4616999924182892},{"id":"https://openalex.org/C2779478453","wikidata":"https://www.wikidata.org/wiki/Q6889748","display_name":"Modularity (biology)","level":2,"score":0.45500001311302185},{"id":"https://openalex.org/C2991944050","wikidata":"https://www.wikidata.org/wiki/Q36534","display_name":"Reaction conditions","level":3,"score":0.41839998960494995},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3968000113964081},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.3853999972343445},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.37130001187324524},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3635999858379364},{"id":"https://openalex.org/C2994592520","wikidata":"https://www.wikidata.org/wiki/Q5090496","display_name":"Substrate specificity","level":3,"score":0.30709999799728394},{"id":"https://openalex.org/C61272859","wikidata":"https://www.wikidata.org/wiki/Q7834031","display_name":"Transferability","level":3,"score":0.30300000309944153},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.29980000853538513},{"id":"https://openalex.org/C120314980","wikidata":"https://www.wikidata.org/wiki/Q180634","display_name":"Distributed computing","level":1,"score":0.29750001430511475}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.26434/chemrxiv.15001213/v3","doi":"https://doi.org/10.26434/chemrxiv.15001213/v3","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15001213/v3","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15001213/v3","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.26434/chemrxiv.15001213/v3","doi":"https://doi.org/10.26434/chemrxiv.15001213/v3","is_oa":true,"landing_page_url":"https://doi.org/10.26434/chemrxiv.15001213/v3","pdf_url":"https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15001213/v3","source":{"id":"https://openalex.org/S4393918830","display_name":"ChemRxiv","issn_l":"2573-2293","issn":["2573-2293"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320313203","display_name":"New York University Abu Dhabi","ror":"https://ror.org/00e5k0821"},{"id":"https://openalex.org/F4320319918","display_name":"York University","ror":"https://ror.org/05fq50484"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7204955512.pdf","grobid_xml":"https://content.openalex.org/works/W7204955512.grobid-xml"},"referenced_works_count":54,"referenced_works":["https://openalex.org/W2081431331","https://openalex.org/W2084131119","https://openalex.org/W2093234844","https://openalex.org/W2146855095","https://openalex.org/W2247581895","https://openalex.org/W2309752964","https://openalex.org/W2314722262","https://openalex.org/W2330924837","https://openalex.org/W2418575327","https://openalex.org/W2564708666","https://openalex.org/W2786689655","https://openalex.org/W2883416535","https://openalex.org/W2896936443","https://openalex.org/W2936617237","https://openalex.org/W2938313966","https://openalex.org/W2958689961","https://openalex.org/W2973226651","https://openalex.org/W3109685127","https://openalex.org/W3128474010","https://openalex.org/W3129638015","https://openalex.org/W3159804163","https://openalex.org/W3165838104","https://openalex.org/W3209726219","https://openalex.org/W3212369199","https://openalex.org/W3213760854","https://openalex.org/W4210585344","https://openalex.org/W4225009204","https://openalex.org/W4229044212","https://openalex.org/W4283644061","https://openalex.org/W4306163774","https://openalex.org/W4306845856","https://openalex.org/W4307410169","https://openalex.org/W4319655930","https://openalex.org/W4321611726","https://openalex.org/W4324392862","https://openalex.org/W4365446574","https://openalex.org/W4377086842","https://openalex.org/W4378085294","https://openalex.org/W4379108793","https://openalex.org/W4380577623","https://openalex.org/W4386316902","https://openalex.org/W4391065326","https://openalex.org/W4391215091","https://openalex.org/W4392242805","https://openalex.org/W4394611864","https://openalex.org/W4394952903","https://openalex.org/W4409288067","https://openalex.org/W4412097518","https://openalex.org/W4414081343","https://openalex.org/W4415989882","https://openalex.org/W4416241040","https://openalex.org/W7125813078","https://openalex.org/W7128480222","https://openalex.org/W7133231616"],"related_works":["https://openalex.org/W7164916825","https://openalex.org/W7140320917","https://openalex.org/W4250703007","https://openalex.org/W7166528045","https://openalex.org/W2009346088","https://openalex.org/W2952886739","https://openalex.org/W2936251259","https://openalex.org/W2949145491","https://openalex.org/W3014976964","https://openalex.org/W6944826692"],"abstract_inverted_index":{"The":[0,176],"decarboxylative":[1,86],"olefination":[2,87],"of":[3,109,161,191,203,230],"aldehydes":[4],"with":[5,172],"malonic":[6],"acid":[7],"derivatives":[8],"offers":[9],"a":[10,38,102,116,126,140],"mild":[11],"and":[12,22,49,120,169,185,194,226],"modular":[13],"route":[14],"to":[15,26,57,76,91,138,181],"activated":[16,111],"olefins,":[17,59],"allowing":[18],"the":[19,74,96,107,122,159,189,228],"\u03b2-substituent,":[20],"\u03b1-substituent":[21],"carbonyl-derived":[23],"activating":[24],"group":[25],"be":[27],"varied":[28],"independently.":[29],"However,":[30],"this":[31,210],"modularity":[32],"has":[33],"not":[34],"been":[35],"realized":[36],"within":[37],"unified":[39],"framework:":[40],"Existing":[41],"methods":[42,68,93,233],"remain":[43],"fragmented":[44],"across":[45,125,134],"individual":[46],"carbonyl":[47],"classes":[48],"are":[50],"dominated":[51],"by":[52],"\u03b1unsubstituted":[53],"products,":[54],"while":[55],"access":[56,180],"\u03b1-heteroatom-substituted":[58],"particularly":[60],"\u03b1-halo":[61],"derivatives,":[62],"remains":[63,88],"poorly":[64],"developed.":[65],"Moreover,":[66],"these":[67],"provide":[69],"little":[70],"guidance":[71],"for":[72,106,154,165,198],"adapting":[73],"reaction":[75,119,220],"new":[77,166],"or":[78],"challenging":[79],"substrates.":[80],"Consequently,":[81],"despite":[82],"its":[83],"attractive":[84],"features,":[85],"underutilized":[89],"relative":[90],"established":[92],"such":[94],"as":[95,151,218],"Horner\u2013Wadsworth\u2013Emmons":[97],"reaction.":[98],"Here,":[99],"we":[100,130],"develop":[101],"unified,":[103],"substrate-adaptive":[104,224],"platform":[105],"synthesis":[108],"functionalized":[110],"olefins.":[112],"Rather":[113],"than":[114],"optimizing":[115],"single":[117],"model":[118],"applying":[121],"resulting":[123,177],"conditions":[124,164,197],"fixed":[127],"substrate":[128,136,167,206],"scope,":[129],"used":[131,149],"Bayesian":[132],"optimization":[133,225],"representative":[135],"pairs":[137],"generate":[139],"compact,":[141],"information-rich":[142],"reaction-development":[143],"dataset.":[144],"This":[145],"dataset":[146],"was":[147],"then":[148],"directly":[150],"prior":[152],"knowledge":[153],"active":[155],"transfer":[156],"learning,":[157],"enabling":[158,222],"identification":[160],"tailored,":[162],"high-yielding":[163],"combinations":[168],"complex":[170],"targets":[171],"minimal":[173],"additional":[174],"experimentation.":[175],"workflow":[178],"provides":[179],"\u03b1,\u03b2-unsaturated":[182],"thioesters,":[183],"esters":[184],"amides,":[186],"substantially":[187],"expands":[188],"scope":[190],"\u03b1-functionalized":[192],"olefins":[193],"identifies":[195],"effective":[196],"substrates":[199],"that":[200,213],"were":[201],"limitations":[202],"previous":[204],"fixed-condition":[205],"scopes.":[207],"More":[208],"broadly,":[209],"study":[211],"demonstrates":[212],"reactiondevelopment":[214],"datasets":[215],"can":[216],"serve":[217],"transferable":[219],"knowledge,":[221],"efficient":[223],"accelerating":[227],"maturation":[229],"emerging":[231],"synthetic":[232],"into":[234],"practically":[235],"general":[236],"transformations.":[237]},"counts_by_year":[],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2026-09-02T00:00:00"}