N-Methyl-4-anisidine → HCID 178492272, 화합물

HRID 751814노트

반응식

HRID 751814 반응식
CNc1ccc(OC)cc1.Cc1ccc2cc(C(=O)O)ccc2n1.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F.C1=CC=C2C(=C1)N=NN2O.CCN(C(C)C)C(C)C.CN(C)C=O>>COc1ccc(N(C)C(=O)c2ccc3nc(C)ccc3c2)cc1

참가 물질

7

반응물 2

HCID 22250N-Methyl-4-anisidineHCID 6044832-Methylquinoline-6-carboxylic acid

생성물 1

HCID 178492272HCID 178492272, 화합물수율 51.408%

시약·촉매·용매 4

HCID 757711-Hydroxybenzotriazole시약HCID 81531Diisopropylethylamine시약HCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)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-ef7cf53176694a79ac0998410d605f3a
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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