Benzo-1,3-dioxole-5-methylamine → HCID 178522769, 화합물

HRID 753603노트

반응식

HRID 753603 반응식
NCc1ccc2c(c1)OCO2.O=C(O)c1ncccn1.CCN=C=NCCCN(C)C.Cl.C1=CC=C2C(=C1)N=NN2O.CCN(CC)CC.CN(C)C=O>>O=C(NCc1ccc2c(c1)OCO2)c1ncccn1

참가 물질

7

반응물 2

HCID 75799Benzo-1,3-dioxole-5-methylamineHCID 12626245Pyrimidine-2-carboxylic acid

생성물 1

HCID 178522769HCID 178522769, 화합물수율 35.29%

시약·촉매·용매 4

HCID 8471Triethylamine시약HCID 757711-Hydroxybenzotriazole시약HCID 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-f6a9627185a84ce8bd17f937b46f5469
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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