FAIR data for (E)-6-((((E)-4-(4-methoxyphenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one
DOI: 10.14469/hpc/4100 Metadata
Created: 2018-04-20 10:47
Last modified: 2018-05-13 12:17
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Co-author: Alan Spivey Co-author: Christian Nielsen
Description
Calculated energies and properties of reactions involving Bronsted acid promoted Oxonium Prins Reactions.
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/3943 | FAIR Data: Reversibility and reactivity in an acid catalyzed cyclocondensation to give furanochromanes , a reaction at the oxonium-Prins vs. ortho-quinone methide cycloaddition mechanistic nexus |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/3954 | HDA-2+4 mechanism, Reactant, p=OMe -922.564764 |
| References | 10.14469/hpc/3956 | HDA-2+4 mechanism, TS, trans, p=OMe -922.535533 18.34 |
| References | 10.14469/hpc/3962 | HDA-2+4 mechanism, TS1, trans + HCl, p=OMe -1383.416033 |
| References | 10.14469/hpc/3969 | HDA-2+4 mechanism, Reactant, trans + HCl, p=OMe -1383.429500 |
| References | 10.14469/hpc/3981 | HDA-2+4 mechanism, TS2, trans + HCl, p=OMe -1383.415986 |
| References | 10.14469/hpc/4083 | HDA-2+4 mechanism, Product, cis + HCl, p=OMe -1383.437265 |
| References | 10.14469/hpc/4089 | HDA-2+4 mechanism, Product, trans + HCl, p=OMe -1383.430568 |
| References | 10.14469/hpc/4097 | HDA-2+4 mechanism,TS1, cis + HCl, p=OMe -1383.403206 |
| References | 10.14469/hpc/4115 | HDA-2+4 mechanism,TS1, cis + HCl, p=OMe, IRC |
| References | 10.14469/hpc/4117 | HDA-2+4 mechanism,TS2, cis + HCl, p=OMe -1383.414219 |
| References | 10.14469/hpc/4162 | HDA-2+4 mechanism,TS2, cis + HCl, p=OMe IRC |