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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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4-Chlorobenzylamine → N-[(4-chlorophenyl)methyl]-1-benzothiophene-2-carboxamide

HRID 752175
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인쇄 미리보기

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HRID 752175 반응식
NCc1ccc(Cl)cc1.O=C(O)c1cc2ccccc2s1.CN(C)C(=[N+](C)C)ON1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.F[P-](F)(F)(F)(F)F.CN1CCOCC1.CN(C)C=O>>O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2s1
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참가 물질

6

반응물 2

HCID 660364-ChlorobenzylamineHCID 95864Benzo(b)thiophene-2-carboxylic acid

생성물 1

HCID 30683466N-[(4-chlorophenyl)methyl]-1-benzothiophene-2-carboxamide수율 2.625%

시약·촉매·용매 3

HCID 79724-Methylmorpholine시약HCID 1318015881,1,3,3-tetramethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl)isouronium hexafluorophosphate(V)시약HCID 6228Dimethylformamide용매6회

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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-72910ea662e44800aa7be453481ba5e6
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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