Full metadata record
DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB97D3en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1107.79889054en
cml.energy.unitsEhen
cml.formula.genericC17H26N4O3en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC1COC(O)(NC2CCCCC2)O1.C1CNC2NCCCN2C1en
dc.contributor.authorGonzález Fabra, Joan-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2015-07-31T08:33:34Z-
dc.date.available2015-07-31T08:33:34Z-
dc.date.created2015-07-31T10:33:33.065+02:00-
dc.date.issued2015-07-31T10:33:33.065+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/176-
dc.descriptionIntermediate 1. Protonated TBD and C-N bond between propylene carbonate and aniline-
dc.relationOriginal title: A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions DOI: 10.1002/anie.201504956 Journal: Angew. Chem. Int. Ed.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-3-
dc.title/Aniline/Catalyzed/TBD/Int1 Int1-
dc.date.updated2015-07-31T08:33:34Z-
Appears in Collections:A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions

Actions:

View dataDownload geometry
Files in This Item:
File Description Size 
Int1.in2.73 kBDownload
output.cml907.11 kBDownload
Referenced by:

Manuscript title: A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.201504956



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/229

Item files in Find  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License