FAIR data for (E)-6-((((E)-4-(4-chlorophenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one
DOI: 10.14469/hpc/4098 Metadata
Created: 2018-04-20 09:36
Last modified: 2018-05-12 17:57
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 |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/4146 | Racemate of (3aS,4S,9bR)-4-(4-chlorophenyl)-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromene |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/3955 | HDA-2+4 mechanism, Reactant, p=Cl -1267.651411 |
| References | 10.14469/hpc/3957 | HDA-2+4 mechanism, TS, trans, p=Cl -1267.621910 = 18.51 |
| References | 10.14469/hpc/3967 | HDA-2+4 mechanism, Reactant, trans + HCl, p=Cl -1728.519744 |
| References | 10.14469/hpc/3968 | HDA-2+4 mechanism, TS1, trans + HCl, p=Cl -1728.500173 |
| References | 10.14469/hpc/3977 | HDA-2+4 mechanism, TS2, trans + HCl, p=Cl -1728.500877, -1.17 lower than TS1 |
| References | 10.14469/hpc/4019 | HDA-2+4 mechanism, Reactant, trans + HCl, p=Cl HCl form, rotated -1728.518693 |
| References | 10.14469/hpc/4084 | HDA-2+4 mechanism, Product, cis + HCl, p=Cl -1728.526866 |
| References | 10.14469/hpc/4087 | HDA-2+4 mechanism,TS1, cis + HCl, p=Cl -1728.486718 |
| References | 10.14469/hpc/4090 | HDA-2+4 mechanism, Product, trans + HCl, p=Cl -1728.519923 |