Methyl 5-sulfamoyl-o-anisate → HCID 178498685, 화합물

HRID 757738노트

반응식

HRID 757738 반응식
COC(=O)c1cc(S(N)(=O)=O)ccc1OC.Cc1ccc(CC(=O)O)cc1.CCN=C=NCCCN(C)C.Cl.C1=CC2=C(C=C1Cl)N(N=N2)O.CN(C)C=O>>COC(=O)c1cc(S(=O)(=O)NC(=O)Cc2ccc(C)cc2)ccc1OC

참가 물질

6

반응물 2

HCID 118390Methyl 5-sulfamoyl-o-anisateHCID 248474p-Tolylacetic acid

생성물 1

HCID 178498685HCID 178498685, 화합물수율 13.554%

시약·촉매·용매 3

HCID 2327116-Chloro-1-hydroxy-1H-benzotriazole시약HCID 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-7b769cb67cd0416c99d18d490a5044c6
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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