FAIR data for (E)-6-((((E)-4-(4-nitrophenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one
DOI: 10.14469/hpc/4101 Metadata
Created: 2018-04-20 11:05
Last modified: 2018-06-22 09:48
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/3971 | HDA-2+4 mechanism, Reactant, trans + HCl, p=NO2 -1473.481822 |
| References | 10.14469/hpc/3972 | HDA-2+4 mechanism, TS1, trans + HCl, p=NO2 -1473.452751 18.24 |
| References | 10.14469/hpc/3975 | HDA-2+4 mechanism, TS1, trans + HCl, p=NO2 IRC |
| References | 10.14469/hpc/3980 | HDA-2+4 mechanism, TS, trans, p=NO2 -1012.582253 |
| References | 10.14469/hpc/3982 | HDA-2+4 mechanism, Reactant, trans, p=NO2 -1012.616261 |
| References | 10.14469/hpc/3992 | HDA-2+4 mechanism, TS2, trans + HCl, p=NO2 -1473.450183 |
| References | 10.14469/hpc/4002 | HDA-2+4 mechanism, TS2, trans + HCl, p=NO2 IRC |
| References | 10.14469/hpc/4086 | HDA-2+4 mechanism, Product, cis + HCl, p=NO2 -1473.486997 |
| References | 10.14469/hpc/4095 | HDA-2+4 mechanism, Product, trans + HCl, p=NO2 -1473.480304 |
| References | 10.14469/hpc/4096 | HDA-2+4 mechanism, TS1, cis + HCl, p=NO2 -1473.441563 |
| References | 10.14469/hpc/4119 | mechanism,TS1, cis + HCl, p=NO2 IRC |
| References | 10.14469/hpc/4510 | HDA-2+4 mechanism, TS1, trans + HCl, p=NO2 SCF only |