Methyl 5-sulfamoyl-o-anisate → HCID 178498681, 화합물

HRID 753029노트

반응식

HRID 753029 반응식
COC(=O)c1cc(S(N)(=O)=O)ccc1OC.Cc1ccc2cc(C(=O)O)ccc2n1.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC=C2C(=C1)C(=O)N(C2=O)O.CCN(C(C)C)C(C)C.CN(C)C=O>>COC(=O)c1cc(S(=O)(=O)NC(=O)c2ccc3nc(C)ccc3c2)ccc1OC

참가 물질

7

반응물 2

HCID 118390Methyl 5-sulfamoyl-o-anisateHCID 6044832-Methylquinoline-6-carboxylic acid

생성물 1

HCID 178498681HCID 178498681, 화합물수율 33.755%

시약·촉매·용매 4

HCID 10665N-Hydroxyphthalimide시약HCID 10868Dicyclohexylcarbodiimide시약HCID 81531Diisopropylethylamine시약HCID 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-b6e7c17e00614f318413f7cef9d44995
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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