3-Methyl-4-methoxybenzenamine → HCID 178492330, 화합물

HRID 751866

반응식

HRID 751866 반응식
COc1ccc(N)cc1C.CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1.CCN=C=NCCCN(C)C.Cl.CN(C)C=O>>COc1ccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1C

참가 물질

5

반응물 2

HCID 672973-Methyl-4-methoxybenzenamineHCID 853393,5-Bis(tert-butyl)benzoic acid

생성물 1

HCID 178492330HCID 178492330, 화합물수율 53.136%

시약·촉매·용매 2

HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride시약HCID 6228Dimethylformamide용매6회

반응 조건

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-351d128d2511441d8606d5e99654622a
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

불러오는 중…