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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Phenacyl bromide → HCID 178444626, 화합물

HRID 1812466
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HRID 1812466 반응식
C#CCCCCC=O.c1ccc(C(=O)CBr)cc1>CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Ir+3].CN(C)C=O.Cc1cccc(C)n1>C#CCCC[C@@H](C=O)CC(=O)c1ccccc1.C#CCCC[C@H](C=O)CC(=O)c1ccccc1
참가 물질반응 조건후처리출처 및 근거반응 노트

참가 물질

8

반응물 3

HCID 6259Phenacyl bromideHCID 79372,6-LutidineHCID 11355455Hept-6-ynal

생성물 2

HCID 178444626HCID 178444626, 화합물HCID 178444627HCID 178444627, 화합물

시약·촉매·용매 3

HCID 103098345-Benzyl-2-tert-butyl-3-methyl-4-imidazolidinone, (2S,5S)-촉매HCID 54589530Iridium(3+);2-phenylpyridine;2-pyridin-2-ylpyridine;hexafluorophosphate촉매HCID 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-4e14f920cf0b48b59878a1230d3db4ac
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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