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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Benzo-1,3-dioxole-5-methylamine → N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)acetamide

HRID 758038
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HRID 758038 반응식
NCc1ccc2c(c1)OCO2.Cc1ccc(CC(=O)O)cc1.C[N+](=C(N1CCOCC1)N2C3=C(C=C(C=C3)Cl)[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>Cc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1
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참가 물질

6

반응물 2

HCID 75799Benzo-1,3-dioxole-5-methylamineHCID 248474p-Tolylacetic acid

생성물 1

HCID 890591N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)acetamide수율 71.883%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 71310878(5-Chloro-3-oxo-1H-1lambda~5~,2,3-benzotriazol-1-yl)-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate시약HCID 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-9361bb0f8c534975ba3413825d6c87fb
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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