{"_buckets": {"deposit": "7c7f18d4-ef93-42ef-9bbb-ec1409672728"}, "_deposit": {"id": "27050", "owners": [], "pid": {"revision_id": 0, "type": "depid", "value": "27050"}, "status": "published"}, "_oai": {"id": "oai:nagoya.repo.nii.ac.jp:00027050"}, "item_10_biblio_info_6": {"attribute_name": "\u66f8\u8a8c\u60c5\u5831", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2018-10-19", "bibliographicIssueDateType": "Issued"}, "bibliographicIssueNumber": "20", "bibliographicPageEnd": "12783", "bibliographicPageStart": "12775", "bibliographicVolumeNumber": "83", "bibliographic_titles": [{"bibliographic_title": "The Journal of Organic Chemistry"}]}]}, "item_10_description_4": {"attribute_name": "\u6284\u9332", "attribute_value_mlt": [{"subitem_description": "The copper-catalyzed hydroarylation of 1,1,1-trifluoro-2-butyne with phenylboronic acid was investigated by performing density functional theory calculations, and a plausible mechanism was proposed. The initial transmetalation step was first examined to compare the feasibility of the catalytically active copper species. Subsequently, the carbocupration of 1,1,1-trifluoro-2-butyne by the phenylcopper species was examined in terms of regioselectivity. The impacts of the alkyne terminal group and the para-substituents of phenylboronic acids on the carbocupration were also examined. Moreover, to shed light on the role of the electron-withdrawing groups on the alkyne substrates, the activation barrier for the carbocupration of 1,1,1-trifluoro-2-butyne was compared to those for several alkyne substrates bearing ester, ketone, cyano, and pentafluorophenyl groups, as well as 2-butyne, which has no electron-withdrawing group. The final protodecupration step involving methanol, acetic acid, or phenylboronic acid was examined to determine possible proton donors.", "subitem_description_type": "Abstract"}]}, "item_10_description_5": {"attribute_name": "\u5185\u5bb9\u8a18\u8ff0", "attribute_value_mlt": [{"subitem_description": "\u30d5\u30a1\u30a4\u30eb\u516c\u958b\uff1a2019-10-19", "subitem_description_type": "Other"}]}, "item_10_publisher_32": {"attribute_name": "\u51fa\u7248\u8005", "attribute_value_mlt": [{"subitem_publisher": "ACS Publications"}]}, "item_10_relation_11": {"attribute_name": "DOI", "attribute_value_mlt": [{"subitem_relation_type_id": {"subitem_relation_type_id_text": "https://doi.org/10.1021/acs.joc.8b02215", "subitem_relation_type_select": "DOI"}}]}, "item_10_rights_12": {"attribute_name": "\u6a29\u5229", "attribute_value_mlt": [{"subitem_rights": "\u201cThis document is the Accepted Manuscript version of a Published Work that appeared in final form in [The Journal of Organic Chemistry], copyright \u00a9 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-G3FHkxUG9drwD4N3feiH].\u201d"}]}, "item_10_select_15": {"attribute_name": "\u8457\u8005\u7248\u30d5\u30e9\u30b0", "attribute_value_mlt": [{"subitem_select_item": "author"}]}, "item_10_source_id_61": {"attribute_name": "ISSN\uff08print\uff09", "attribute_value_mlt": [{"subitem_source_identifier": "0022-3263", "subitem_source_identifier_type": "ISSN"}]}, "item_creator": {"attribute_name": "\u8457\u8005", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Yamamoto, Yoshihiko"}], "nameIdentifiers": [{"nameIdentifier": "88613", "nameIdentifierScheme": "WEKO"}]}]}, "item_files": {"attribute_name": "\u30d5\u30a1\u30a4\u30eb\u60c5\u5831", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2019-10-19"}], "displaytype": "detail", "download_preview_message": "", "file_order": 0, "filename": "JOC_MS_Rev2.pdf", "filesize": [{"value": "2.7 MB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_free", "mimetype": "application/pdf", "size": 2700000.0, "url": {"label": "JOC_MS_Rev2", "url": "https://nagoya.repo.nii.ac.jp/record/27050/files/JOC_MS_Rev2.pdf"}, "version_id": "636c2344-f315-4b09-aa90-a9922b1835f5"}]}, "item_language": {"attribute_name": "\u8a00\u8a9e", "attribute_value_mlt": [{"subitem_language": "eng"}]}, "item_resource_type": {"attribute_name": "\u8cc7\u6e90\u30bf\u30a4\u30d7", "attribute_value_mlt": [{"resourcetype": "journal article", "resourceuri": "http://purl.org/coar/resource_type/c_6501"}]}, "item_title": "Theoretical Study of the Copper-Catalyzed Hydroarylation of (Trifluoromethyl)alkyne with Phenylboronic Acid", "item_titles": {"attribute_name": "\u30bf\u30a4\u30c8\u30eb", "attribute_value_mlt": [{"subitem_title": "Theoretical Study of the Copper-Catalyzed Hydroarylation of (Trifluoromethyl)alkyne with Phenylboronic Acid"}]}, "item_type_id": "10", "owner": "1", "path": ["1903/1904/1905"], "permalink_uri": "http://hdl.handle.net/2237/00029250", "pubdate": {"attribute_name": "\u516c\u958b\u65e5", "attribute_value": "2019-02-06"}, "publish_date": "2019-02-06", "publish_status": "0", "recid": "27050", "relation": {}, "relation_version_is_last": true, "title": ["Theoretical Study of the Copper-Catalyzed Hydroarylation of (Trifluoromethyl)alkyne with Phenylboronic Acid"], "weko_shared_id": null}