Cyclohexanecarboxaldehyde → HCID 178477493, compound

HRID 2059368Notes

Reaction equation

HRID 2059368 reaction equation
O=CC1CCCCC1.CCSC(=O)C(NC(=O)c1ccccc1)C(=O)O>NCc1ccccc1.O=C(O)C(F)(F)F.CN(C)c1ccncc1.CC#N>CCSC(=O)/C(=C/C1CCCCC1)NC(=O)c1ccccc1

Participants

6

Reactant 2

HCID 16275CyclohexanecarboxaldehydeHCID 178477512HCID 178477512, compound

Product 1

HCID 178477493HCID 178477493, compoundYield 92%

Reagents, catalysts & solvents 3

HCID 142844-(Dimethylamino)pyridineReagentHCID 12484433Benzenemethanamine, trifluoroacetateCatalystHCID 6342AcetonitrileSolvent

Conditions

Temperature
50 °C

Workup

  1. temperatureThe product mixture was cooled to 25 °C.
  2. filtrationFiltered through a pad of celite · Keep Organic
  3. wash"The celite was washed with ethyl acetate (3 x 1 mL)."
  4. concentrationThe filtrate was concentrated under reduced pressure
  5. additionA 0.07 M stock solution of the internal standard ethylene carbonate (0.70 mL in CDCl3) was added.

Sources & evidence

ORD record
ord-514e698b174742b6b6362c8a26c95474
Source dataset
Transfer learning optimization of 26 decarboxylative olefination reactions

Reaction notes

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