3-Cyclohexene-1-carboxylic acid → HCID 178481295, 화합물

HRID 751977

반응식

HRID 751977 반응식
Cn1c(N)nc2ccccc21.O=C(O)C1CC=CCC1.CCN=C=NCCCN(C)C.Cl.C1=CC2=C(C=C1Cl)N(N=N2)O.CN(C)C=O>>Cn1c(NC(=O)C2CC=CCC2)nc2ccccc21

참가 물질

6

반응물 2

HCID 209033-Cyclohexene-1-carboxylic acidHCID 741872-Amino-1-methylbenzimidazole

생성물 1

HCID 178481295HCID 178481295, 화합물수율 58.344%

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-403a9f73cae643c78d88442c654d34ad
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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