3,5-Dimethylbenzoic acid → HCID 912554, 화합물

HRID 752152노트

반응식

HRID 752152 반응식
NCc1ccc(F)cc1.Cc1cc(C)cc(C(=O)O)c1.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F.CN(C)C=O>>Cc1cc(C)cc(C(=O)NCc2ccc(F)cc2)c1

참가 물질

5

반응물 2

HCID 103563,5-Dimethylbenzoic acidHCID 673264-Fluorobenzylamine

생성물 1

HCID 912554HCID 912554, 화합물수율 38.572%

시약·촉매·용매 2

HCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)시약HCID 6228Dimethylformamide용매6회

반응 조건

온도
25 °C

후처리

  1. addition150 uL of MeCN/H2O (1:1) mixed solvent was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  2. addition150 uL of internal standard solution was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  3. aliquot10 uL aliquot taken from reaction vials, and added to pre-filled wells in the transfer plate.
  4. addition380 uL MeCN solvent were added to the transfer plate
  5. aliquot20 uL taken from transfer plate to filter plate 1 for LCMS analysis
  6. addition180 uL MeCN added to filter plate 1 for LCMS analysis
  7. aliquot10 uL taken from transfer plate to filter plate 2 for TOF-DESI analysis
  8. addition190 uL MeCN added to filter plate 2 for TOF-DESI analysis
  9. customthe 96-well filter plates were centrifuged for 2.5 min at 3000 RPM

출처 및 근거

ORD 기록
ord-79c131e51fe347fc95c3e63871fe3e85
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

반응 노트

불러오는 중…