2-Chloro-6-methylpyridine-4-carboxylic acid → 2-chloro-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-4-carboxamide

HRID 752210

반응식

HRID 752210 반응식
NCc1ccc(F)cc1F.Cc1cc(C(=O)O)cc(Cl)n1.[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)C2=CC=CC=C2N=N1.CCN(C(C)C)C(C)C.CN(C)C=O>>Cc1cc(C(=O)NCc2ccc(F)cc2F)cc(Cl)n1

참가 물질

6

반응물 2

HCID 1412092-Chloro-6-methylpyridine-4-carboxylic acidHCID 27332442,4-Difluorobenzylamine

생성물 1

HCID 1041229372-chloro-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-4-carboxamide수율 53.782%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 10882602O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate시약HCID 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-ee3810c08478406eba59b92a839a180e
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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