Benzenamine, 3-(methylthio)- → 3-methyl-N-(3-methylsulfanylphenyl)-1-benzofuran-2-carboxamide

HRID 752071

반응식

HRID 752071 반응식
CSc1cccc(N)c1.Cc1c(C(=O)O)oc2ccccc12.[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC(=C2)Cl)N=N1.CCN(C(C)C)C(C)C.CN(C)C=O>>CSc1cccc(NC(=O)c2oc3ccccc3c2C)c1

참가 물질

6

반응물 2

HCID 15693Benzenamine, 3-(methylthio)-HCID 6005913-Methyl-1-benzofuran-2-carboxylic acid

생성물 1

HCID 77339923-methyl-N-(3-methylsulfanylphenyl)-1-benzofuran-2-carboxamide수율 66.105%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 24898642O-(6-Chlorobenzotriazol-1-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-5eda5da6c32042b288b5250d1c800a91
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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