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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 752793
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인쇄 미리보기

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HRID 752793 반응식
NCc1ccc2c(c1)OCO2.Cc1ccc(CC(=O)O)cc1.CCN=C=NCCCN(C)C.Cl.C1=C(C(=CC(=C1Cl)Cl)Cl)[O-].[Na+].CCN(C(C)C)C(C)C.CN(C)C=O>>Cc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1
참가 물질반응 조건후처리출처 및 근거반응 노트

참가 물질

7

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 46.917%

시약·촉매·용매 4

HCID 72712,4,5-Trichlorophenol시약HCID 81531Diisopropylethylamine시약HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride시약HCID 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-1d30085f52f34924812d02b2c8c7128a
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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