FAIR data for Acid Catalyzed Furanochromane Formation â Stepwise via an Oxonium Prins Reaction or Concerted via a Hetero Diels Alder Reaction? HCl catalyzed cis stereochemistry
DOI: 10.14469/hpc/4068 Metadata
Created: 2018-04-17 14:08
Last modified: 2018-05-21 06:53
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian calculations
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/4258 | HDA-2+4 mechanism,TS2, cis + HCl, p=Me IRC 15 |
| 10.14469/hpc/4074 | HDA-2+4 mechanism,TS1, cis/exo + HCl, p=H -1268.845670 |
| 10.14469/hpc/4079 | HDA-2+4 mechanism, Product, cis + HCl, p=H -1268.885166 |
| 10.14469/hpc/4081 | HDA-2+4 mechanism,TS1, cis + HCl, p=CN -1361.132166 |
| 10.14469/hpc/4082 | HDA-2+4 mechanism, Product, cis + HCl, p=NH2 |
| 10.14469/hpc/4083 | HDA-2+4 mechanism, Product, cis + HCl, p=OMe -1383.437265 |
| 10.14469/hpc/4084 | HDA-2+4 mechanism, Product, cis + HCl, p=Cl -1728.526866 |
| 10.14469/hpc/4085 | HDA-2+4 mechanism, Product, cis + HCl, p=CN -1361.175764 |
| 10.14469/hpc/4086 | HDA-2+4 mechanism, Product, cis + HCl, p=NO2 -1473.486997 |
| 10.14469/hpc/4087 | HDA-2+4 mechanism,TS1, cis + HCl, p=Cl -1728.486718 |
| 10.14469/hpc/4096 | HDA-2+4 mechanism,TS1, cis + HCl, p=NO2 -1473.441563 |
| 10.14469/hpc/4097 | HDA-2+4 mechanism,TS1, cis + HCl, p=OMe -1383.403206 |
| 10.14469/hpc/4117 | HDA-2+4 mechanism,TS2, cis + HCl, p=OMe -1383.414219 |
| 10.14469/hpc/4122 | HDA-2+4 mechanism,TS2, cis + HCl, p=NH2 -1324.244810 |
| 10.14469/hpc/4128 | HDA-2+4 mechanism,TS2, cis + HCl, p=NH2 IRC |
| 10.14469/hpc/4136 | HDA-2+4 mechanism,Product, cis + HCl, p=Me -1308.200591 |
| 10.14469/hpc/4147 | HDA-2+4 mechanism,TS1, cis + HCl, p=Me -1308.162846 |
| 10.14469/hpc/4114 | HDA-2+4 mechanism,TS1, cis + HCl, p=NH2 IRC |
| 10.14469/hpc/4115 | HDA-2+4 mechanism,TS1, cis + HCl, p=OMe, IRC |
| 10.14469/hpc/4120 | HDA-2+4 mechanism,TS1, cis + HCl, p=H, IRC |
| 10.14469/hpc/4156 | HDA-2+4 mechanism,TS2, cis + HCl, p=OMe, IRC |
| 10.14469/hpc/4157 | HDA-2+4 mechanism,TS2, cis + HCl, p=OMe, IRC |
| 10.14469/hpc/4158 | HDA-2+4 mechanism,TS2, cis + HCl, p=OMe, IRC |
| 10.14469/hpc/4121 | HDA-2+4 mechanism,TS1, cis + HCl, p=CN, IRC |
| 10.14469/hpc/4119 | HDA mechanism,TS1, cis + HCl, p=NO2 IRC |
| 10.14469/hpc/4162 | HDA-2+4 mechanism,TS2, cis + HCl, p=OMe IRC |
| 10.14469/hpc/4080 | HDA-2+4 mechanism,TS1, cis + HCl, p=NH2 -1324.235013 |
| 10.14469/hpc/4169 | HDA-2+4 mechanism,TS1, cis + HCl, p=Me IRC |
| 10.14469/hpc/4173 | HDA-2+4 mechanism,TS2, cis + HCl, p=Me -1308.173687 |