FAIR data for (E)-6-((((E)-4-(4-cyanophenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one
DOI: 10.14469/hpc/4103 Metadata
Created: 2018-04-20 11:24
Last modified: 2018-05-12 17:59
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/3945 | HDA-2+4 mechanism, TS1, trans + HCl, p=CN -1361.141415, E = -1361.37675053 |
| References | 10.14469/hpc/3952 | HDA-2+4 mechanism, Reactant, p=CN -900.304397 |
| References | 10.14469/hpc/3953 | HDA-2+4 mechanism, TS, trans, p=CN -900.270442, 21.3 |
| References | 10.14469/hpc/3964 | HDA-2+4 mechanism, Reactant, trans + HCl, p=CN -1361.169493 |
| References | 10.14469/hpc/3993 | HDA-2+4 mechanism, TS2, trans + HCl, p=CN -1361.140774, E = -1361.37809477 |
| References | 10.14469/hpc/4081 | HDA-2+4 mechanism,TS1, cis + HCl, p=CN -1361.132166 |
| References | 10.14469/hpc/4085 | HDA-2+4 mechanism, Product, cis + HCl, p=CN -1361.175764 |
| References | 10.14469/hpc/4094 | HDA-2+4 mechanism, Product, trans + HCl, p=CN -1361.169219 |
| References | 10.14469/hpc/4121 | HDA-2+4 mechanism,TS1, cis + HCl, p=CN, IRC |