Phenacyl bromide → HCID 178444626、化合物

HRID 1812451

反応式

HRID 1812451 の反応式
C#CCCCCC=O.c1ccc(C(=O)CBr)cc1>C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.[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

参加物

8

反応物 3

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

生成物 2

HCID 178444626HCID 178444626、化合物HCID 178444627HCID 178444627、化合物

試薬・触媒・溶媒 3

HCID 11198150(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether触媒HCID 11388194Ir(ppy)3触媒HCID 6228Dimethylformamide溶媒5 回

反応条件

温度
22 °C

後処理

  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. stirring手順は記録されていません
  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

出典と根拠

ORDレコード
ord-035273153d8649e2a89dee31d46f4a79
出典データセット
Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

関連ノート

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