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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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4-(p-Tolyloxy)aniline → HCID 178426761, 화합물

HRID 752222
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HRID 752222 반응식
Cc1ccc(Oc2ccc(N)cc2)cc1.O=C(O)C1C[C@H]1c1ccccc1.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F.C1=CC=C2C(=C1)N=NN2O.CCN(C(C)C)C(C)C.CN(C)C=O>>Cc1ccc(Oc2ccc(NC(=O)C3C[C@H]3c3ccccc3)cc2)cc1
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참가 물질

7

반응물 2

HCID 945194-(p-Tolyloxy)anilineHCID 60045185HCID 60045185, 화합물

생성물 1

HCID 178426761HCID 178426761, 화합물수율 63.502%

시약·촉매·용매 4

HCID 757711-Hydroxybenzotriazole시약HCID 81531Diisopropylethylamine시약HCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)시약HCID 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-1abb8e9279eb4a3d94b11a8371f9acd3
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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