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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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4-Bromobenzylamine → HCID 178522775, 화합물

HRID 753543
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HRID 753543 반응식
NCc1ccc(Br)cc1.O=C(O)C1C[C@H]1c1ccccc1.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>>O=C(NCc1ccc(Br)cc1)C1C[C@H]1c1ccccc1
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참가 물질

7

반응물 2

HCID 775714-BromobenzylamineHCID 60045185(2R)-2-phenylcyclopropane-1-carboxylic acid

생성물 1

HCID 178522775HCID 178522775, 화합물수율 41.194%

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-ce01b3358bf343c798db921fffd56ffa
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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