HCID 11263568, 화합물 → HCID 178502706, 화합물

HRID 2059482노트

반응식

HRID 2059482 반응식
CON(C)C(=O)CC(=O)O.Cc1ccc(C)c(OCCCC(C)(C)C=O)c1>NCc1ccccc1.O=C(O)C(F)(F)F.CN(C)c1ccncc1.CN(C)C=O>CON(C)C(=O)/C=C/C(C)(C)CCCOc1cc(C)ccc1C

참가 물질

6

반응물 2

HCID 11263568HCID 11263568, 화합물HCID 222208795-(2,5-Dimethylphenoxy)-2,2-dimethylpentanal

생성물 1

HCID 178502706HCID 178502706, 화합물수율 12%

시약·촉매·용매 3

HCID 142844-(Dimethylamino)pyridine시약HCID 12484433Benzenemethanamine, trifluoroacetate촉매HCID 6228Dimethylformamide용매

반응 조건

온도
50 °C

후처리

  1. temperatureThe product mixture was cooled to 25 °C.
  2. filtrationFiltered through a pad of celite · Organic 상 유지
  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.

출처 및 근거

ORD 기록
ord-e15b259ba60b40c7a7b850b73009b293
출처 데이터셋
Transfer learning optimization of 26 decarboxylative olefination reactions

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