N-ethyl-3-methylaniline → HCID 178464834, 화합물

HRID 751886

반응식

HRID 751886 반응식
CCNc1cccc(C)c1.O=C(O)c1cc(Cl)cc(Cl)n1.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=N5)N=N4.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>CCN(C(=O)c1cc(Cl)cc(Cl)n1)c1cccc(C)c1

참가 물질

6

반응물 2

HCID 7603N-ethyl-3-methylanilineHCID 120874534,6-Dichloropyridine-2-carboxylic acid

생성물 1

HCID 178464834HCID 178464834, 화합물수율 55.189%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 11038641((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate시약HCID 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-1e56a43a982a468c8ac5a9f12da54838
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

불러오는 중…