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作为Transition1x数据集的补充，Transition1+数据集探索了更多低能势垒范围内的新反应。
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创建时间：
2026-03-12
相关数据集
Mechanism of Permanganate-Promoted Dihydroxylation of Complex Diketopiperazines: Critical Roles of Counter-cation and Ion-Pairing
The mechanism of permanganate-mediated dual C–H oxidation of complex diketopiperazines has been examined with density functional theory computations. The products of these oxidations are enabling int
NIAID Data Ecosystem60
Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ 4 -oxazaborines and Their Rearrangement to 1,2,4,3λ 4 -Triazaborines
The reaction of substituted benzenediazonium tetraphenylborates with the β-enaminones derived from pentane-2,4-dione, 1-phenylbutane-1,3-dione, and 1,4-diphenylbutane-1,3-dione with a primary or secon
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PE - S/E - Sc-Exo - C4-Exo - SePh-Endo - No Solvent
Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.
DataCite Commons2020-09-05 更新70
trans-Mutation at Gold(III): A Mechanistic Study of a Catalytic Acetylene Functionalization via a Double Insertion Pathway
The Au(III) complex Au(tpy)(OAcF)2 (OAcF = OCOCF3; tpy = 2-(p-tolyl)pyridine) catalyzes the anti addition of trifluoroacetic acid (HOAcF) to acetylene to furnish vinyl trifluoroacetate. The Au(II
acs.figshare.com2023-06-03 更新60
