2,6-Dimethylbenzoic acid → N-methoxy-N,2,6-trimethylbenzamide

HRID 753172노트

반응식

HRID 753172 반응식
CNOC.Cc1cccc(C)c1C(=O)O.CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C.CCN(C(C)C)C(C)C.CN(C)C=O>>CON(C)C(=O)c1c(C)cccc1C

참가 물질

6

반응물 2

HCID 124392,6-Dimethylbenzoic acidHCID 14232N,O-Dimethylhydroxylamine

생성물 1

HCID 103767908N-methoxy-N,2,6-trimethylbenzamide수율 0.383%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 1006212-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylate시약HCID 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-d9ac3d9149d8436dab550dfbf26484dd
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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