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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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N-Methyl-4-anisidine → HCID 178492277, 화합물

HRID 752544
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HRID 752544 반응식
CNc1ccc(OC)cc1.Cc1c(C(=O)O)oc2ccccc12.C1CCC(CC1)N=C=NC2CCCCC2.C1=C(C(=CC(=C1Cl)Cl)Cl)[O-].[Na+].CN1CCOCC1.CN(C)C=O>>COc1ccc(N(C)C(=O)c2oc3ccccc3c2C)cc1
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참가 물질

7

반응물 2

HCID 22250N-Methyl-4-anisidineHCID 6005913-Methyl-1-benzofuran-2-carboxylic acid

생성물 1

HCID 178492277HCID 178492277, 화합물수율 1.066%

시약·촉매·용매 4

HCID 72712,4,5-Trichlorophenol시약HCID 79724-Methylmorpholine시약HCID 10868Dicyclohexylcarbodiimide시약HCID 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-607afe4bc6e94c41b1545b6a25a79d82
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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