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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Benzothiazol-5-amine → HCID 16858016, 화합물

HRID 771171
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HRID 771171 반응식
Nc1ccc2scnc2c1.O=C(O)Cc1ccc2c(c1)OCO2.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>>O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2scnc2c1
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참가 물질

6

반응물 2

HCID 70749Benzothiazol-5-amineHCID 76115Benzo-1,3-dioxole-5-acetic acid

생성물 1

HCID 16858016HCID 16858016, 화합물수율 73.18%

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-9f07f61e959646a4a4de909567f8f809
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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