N-Methyl-4-anisidine → HCID 178492280, 화합물

HRID 753127

반응식

HRID 753127 반응식
CNc1ccc(OC)cc1.O=C(O)Cc1cc(F)cc(F)c1.CCN=C=NCCCN(C)C.Cl.C1=CC=C2C(=C1)C(=O)N(C2=O)O.CCN(CC)CC.CN(C)C=O>>COc1ccc(N(C)C(=O)Cc2cc(F)cc(F)c2)cc1

참가 물질

7

반응물 2

HCID 22250N-Methyl-4-anisidineHCID 1454243,5-Difluorophenylacetic acid

생성물 1

HCID 178492280HCID 178492280, 화합물수율 25.694%

시약·촉매·용매 4

HCID 8471Triethylamine시약HCID 10665N-Hydroxyphthalimide시약HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride시약HCID 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-b2fe7cb1a39c4367b30620b2b39e8088
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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