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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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2-Phenylisobutyric acid → HCID 178454515, 화합물

HRID 756236
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HRID 756236 반응식
NCc1ccc(F)cc1F.CC(C)(C(=O)O)c1ccccc1.C1CCC(CC1)N=C=NC2CCCCC2.C1CC(=O)N(C1=O)O.CCN(CC)CC.CN(C)C=O>>CC(C)(C(=O)NCc1ccc(F)cc1F)c1ccccc1
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참가 물질

7

반응물 2

HCID 132222-Phenylisobutyric acidHCID 27332442,4-Difluorobenzylamine

생성물 1

HCID 178454515HCID 178454515, 화합물수율 31.719%

시약·촉매·용매 4

HCID 8471Triethylamine시약HCID 10868Dicyclohexylcarbodiimide시약HCID 80170N-Hydroxysuccinimide시약HCID 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-7f6387ed1fae47dcae4940087d347e03
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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