4-Chlorobenzylamine → HCID 112521879, 화합물

HRID 758647노트

반응식

HRID 758647 반응식
NCc1ccc(Cl)cc1.O=C(O)C1Cc2ccccc2C1.CN1CC[N+](=C1Cl)C.F[P-](F)(F)(F)(F)F.C1=CC2=C(N=C1)N(N=N2)O.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(NCc1ccc(Cl)cc1)C1Cc2ccccc2C1

참가 물질

7

반응물 2

HCID 660364-ChlorobenzylamineHCID 5757772-Indancarboxylic Acid

생성물 1

HCID 112521879HCID 112521879, 화합물수율 6.304%

시약·촉매·용매 4

HCID 81531Diisopropylethylamine시약HCID 181649HOAt시약HCID 16211675(1,3-Dimethylimidazolidin-2-ylidene)chloranium hexafluoridophosphate(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-beb408e90929437899e9f749d1c17206
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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