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Bromomethyl 4-methoxyphenyl ketone → HCID 178444638, 화합물

HRID 1812870
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HRID 1812870 반응식
C#CCCCCC=O.COc1ccc(C(=O)CBr)cc1>C[C@@H]1[NH2+][C@@H](C(C)(C)C)N(C)C1=O.[O-]S(=O)(=O)C(F)(F)F.F[P](F)(F)(F)(F)F.CC(C)(C)C1=CC=[N@H]2C(=C1)C3=CC(=CC=[N@@H]3[Ir]2456c7cc(F)cc(F)c7C8=CC=C(C=[N]48)C(F)(F)F)C(C)(C)C.Fc9cc(F)c(C%10=[N]5C=C(C=C%10)C(F)(F)F)c6c9.CN(C)C=O.Cc1cccc(C)n1>C#CCCC[C@@H](C=O)CC(=O)c1ccc(OC)cc1.C#CCCC[C@H](C=O)CC(=O)c1ccc(OC)cc1
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참가 물질

7

반응물 3

HCID 4965Bromomethyl 4-methoxyphenyl ketoneHCID 79372,6-LutidineHCID 11355455Hept-6-ynal

생성물 2

HCID 178444638HCID 178444638, 화합물HCID 178444639HCID 178444639, 화합물

시약·촉매·용매 2

HCID 139247132(2R,5S)-2-tert-butyl-3,5-dimethylimidazolidin-1-ium-4-one;trifluoromethanesulfonate촉매HCID 6228Dimethylformamide용매5회

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온도
22 °C

후처리

  1. aliquot4 uL mixture of each reacted solution was collected and diluted with 36 uL ACN
  2. addition4 uL mixture of each reacted solution was collected and diluted with 36 uL ACN
  3. additionchiral resolving regent (150 mM in DCM, 40 uL)
  4. additionCuI with DIPEA (400 mM in ACN) 40 uL
  5. additioninternal standard 1-phenylprop-2-yn-1-ol (4) (25 mM in ACN) 40 uL
  6. stirring기록된 절차가 없습니다
  7. aliquotAfter the reaction, 10 uL of supernatant for each reaction was transferred to another 96-well plate
  8. additionAfter the reaction, 10 uL of supernatant for each reaction was transferred to another 96-well plate and diluted with 190 uL ACN before the IM-MS analysis

출처 및 근거

ORD 기록
ord-b4a3e0ab257149068f5cbf22cc9ed788
출처 데이터셋
Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
DOI
10.1038/s41467-023-42446-5

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