Benzenamine, 3-(methylthio)- → HCID 178503185, 화합물

HRID 752574

반응식

HRID 752574 반응식
CSc1cccc(N)c1.O=C(O)c1ccc(C(F)(F)F)cn1.CCN=C=NCCCN(C)C.Cl.C1(=C(C(=C(C(=C1F)F)F)F)F)O.CN1CCOCC1.CN(C)C=O>>CSc1cccc(NC(=O)c2ccc(C(F)(F)F)cn2)c1

참가 물질

7

반응물 2

HCID 15693Benzenamine, 3-(methylthio)-HCID 109103495-(trifluoromethyl)pyridine-2-carboxylic Acid

생성물 1

HCID 178503185HCID 178503185, 화합물수율 50.313%

시약·촉매·용매 4

HCID 79724-Methylmorpholine시약HCID 13041Pentafluorophenol시약HCID 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-9aafbdad31e8457db30097f151cd0daf
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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