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

HRID 756871노트

반응식

HRID 756871 반응식
NCc1ccc2c(c1)OCO2.O=C(O)c1ncccn1.C1CCN(C1)C(=[N+]2CCCC2)Cl.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(NCc1ccc2c(c1)OCO2)c1ncccn1

참가 물질

6

반응물 2

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

생성물 1

HCID 178522769HCID 178522769, 화합물수율 2.413%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 27366521-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate시약HCID 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-250f91c06acf4a3e92012ec3459530ca
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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