FAIR data for (E)-6-((((E)-4-(4-aminophenyl)but-3-en-1-yl)oxy)methylene)cyclohexa-2,4-dien-1-one
DOI: 10.14469/hpc/4102 Metadata
Created: 2018-04-20 11:23
Last modified: 2018-06-22 10:13
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/3944 | HDA-2+4 mechanism, TS1, trans + HCl, p=NH2 -1324.248061 |
| References | 10.14469/hpc/3946 | HDA-2+4 mechanism, Reactant, trans, p=NH2 -863.389984 |
| References | 10.14469/hpc/3947 | HDA-2+4 mechanism, TS, trans, p=NH2 -863.366058 15.01 |
| References | 10.14469/hpc/3966 | HDA-2+4 mechanism, Reactant, trans + HCl, p=NH2 -1324.254478 |
| References | 10.14469/hpc/3976 | HDA-2+4 mechanism, TS1, trans + HCl, p=NH2 IRC |
| References | 10.14469/hpc/3978 | HDA-2+4 mechanism, TS2, trans + HCl, p=NH2 -1324.244340 6.36 |
| References | 10.14469/hpc/3983 | HDA-2+4 mechanism, TS2, trans + HCl, p=NH2, Def2-TZVPPD 1324.248958 |
| References | 10.14469/hpc/3988 | HDA-2+4 mechanism, TS1, trans + HCl, p=NH2, Def2-TZVPPD -1324.254361 |
| References | 10.14469/hpc/3989 | HDA-2+4 mechanism, TS2, trans + HCl, p=NH2 IRC |
| References | 10.14469/hpc/3996 | HDA-2+4 mechanism, TS1, trans + HCl, p=NH2 + H2O, Def2-TZVPPD -1400.721912 |
| References | 10.14469/hpc/4057 | HDA-2+4 mechanism, TS, trans, p=NH2. IRC |
| References | 10.14469/hpc/4080 | HDA-2+4 mechanism,TS1, cis + HCl, p=NH2 -1324.235013 |
| References | 10.14469/hpc/4082 | HDA-2+4 mechanism, Product, cis + HCl, p=NH2 |
| References | 10.14469/hpc/4088 | HDA-2+4 mechanism, Product, trans + HCl, p=NH2 -1324.254788 |
| References | 10.14469/hpc/4114 | HDA-2+4 mechanism, TS1, cis + HCl, p=NH2 IRC |
| References | 10.14469/hpc/4122 | HDA-2+4 mechanism,TS2, cis + HCl, p=NH2 -1324.244810 |
| References | 10.14469/hpc/4164 | HDA-2+4 mechanism, TS2, trans + HCl, p=NH2 + H2O, Def2-TZVPPD -1400.715725 |
| References | 10.14469/hpc/4511 | HDA-2+4 mechanism, TS1, trans + HCl, p=NH2 SCF only |