Piperidine → HCID 178517240, compound

HRID 1652328Notes

Reaction equation

HRID 1652328 reaction equation
C1CCNCC1.O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1>C1CN2CCN1CC2.COCCOC.CS(C)=O.F[B-](F)(F)F.[Cl][Ni][Cl].c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1>O=C1Nc2ccc(N3CCCCC3)cc2C(C#CC2CC2)(C(F)(F)F)O1

Participants

7

Reactant 2

HCID 8082PiperidineHCID 64139Efavirenz

Product 1

HCID 178517240HCID 178517240, compoundYield 0%

Reagents, catalysts & solvents 4

HCID 9237DabcoCatalystHCID 9930615Pyrylium, 2,4,6-triphenyl-, tetrafluoroborate(1-)CatalystHCID 15773433Dichloronickel;1,2-dimethoxyethaneCatalystHCID 679Dimethyl SulfoxideSolvent3×

Conditions

Temperature
55 °C

Workup

  1. additionThe samples was moved from a 1536 well plate into a 384 well plate. The 384 well plate contained 75 microliter of 1% Acetic acid in DMSO solution with 0.003M trimethoxybenzene. The reaction plate was rinsed three times with the same solution to make a total addition volume of ~90 microliters
  2. aliquot25 microliter of quenched reaction mixture was taken
  3. additionTo the 25 microliter aliquot 50 microliter of DMSO was added. If the original reaction concentration was 0.05 M (wrt limiting reagent). This would make a final analytical concentration of 0.36 mM which is in line with typical analytical concentrations from this group.

Sources & evidence

ORD record
ord-c96925b8f92c4198b9df9e2145a8d1a4
Source dataset
Nano CN PhotoChemistry Informers Library
Original link
View source

Reaction notes

Loading…