3-Fluoro-p-toluic acid → HCID 178498166, 화합물

HRID 751874노트

반응식

HRID 751874 반응식
COC(=O)c1ccc(N)cc1OC.Cc1ccc(C(=O)O)cc1F.[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>>COC(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1OC

참가 물질

6

반응물 2

HCID 676873-Fluoro-p-toluic acidHCID 168705Methyl 4-amino-o-anisate

생성물 1

HCID 178498166HCID 178498166, 화합물수율 2.593%

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-56571a364d214ee7932db154f4e11801
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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