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HRID1486078

反应详情

EQUATION

反应方程式

HRID 1486078 的结构方程式

REACTANTS

反应物

2
反应SMILES：O=C(O)C(F)(F)F
HCID6422

未命名化合物

反应SMILES：COc1ccc2c(Br)cccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccc(C#N)cc21
HCID118292721

未命名化合物

PRODUCTS

产物

1
反应SMILES：CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2cc(C#N)ccc2N(C(=O)CS(C)(=O)=O)[C@H]1C.O=C(O)C(F)(F)F
HCID73425657

未命名化合物

收率 99%

AUXILIARIES

试剂、催化剂与溶剂

1
反应SMILES：ClCCl
溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a rt solution of tert-butyl(S)-1-((2S,3S)-5-((5-bromo-2-methoxynaphthalen-1-yl)methyl)-7-cyano-2-methyl-1-(2-(methylsulfonyl)acetyl)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylamino)-1-oxopropan-2-yl(methyl)carbamate (68 mg, 88.2 μmol) in CH2Cl2 (353 μl) was added TFA (88.2 μl). The reaction was stirred at rt for 2.5 h, then concentrated, taken up in H2O, and lyophilized to provide (S)-N-((2S,3S)-5-((5-bromo-2-methoxynaphthalen-1-yl)methyl)-7-cyano-2-methyl-1-(2-(methylsulfonyl)acetyl)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide 2,2,2-trifluoroacetate (68.6 mg, 99%) as a white solid. MS m/z 670/672 (MH)+.

WORKUP

后处理

  1. concentrationconcentrated