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HRID1486128

反应详情

EQUATION

反应方程式

HRID 1486128 的结构方程式

REACTANTS

反应物

2
反应SMILES：Cl
HCID313

Hydrochloric Acid

ClH

反应SMILES：C[C@@H](C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N(C(=O)C2CCOCC2)[C@H]1C)N(C)C(=O)OC(C)(C)C
HCID118292686

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(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N(C(=O)C2CCOCC2)[C@H]1C.Cl.Cl
HCID90082327

未命名化合物

收率 81%

AUXILIARIES

试剂、催化剂与溶剂

2
反应SMILES：CCOCC
溶剂HCID3283

Diethyl Ether

C4H10O

反应SMILES：C1COCCO1
溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

A rt solution of tert-butyl(S)-1-((3S,4S)-7-cyano-1-((3-cyclopropylquinolin-4-yl)methyl)-4-methyl-2-oxo-5-(tetrahydro-2H-pyran-4-carbonyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylamino)-1-oxopropan-2-yl(methyl)carbamate (53 mg, 76.3 μmol) in 4 M HCl in dioxane (381 μl) was stirred for 2 h. The reaction was diluted with Et2O and the solids were collected by vacuum filtration to provide (S)-N-((3S,4S)-7-cyano-1-((3-cyclopropylquinolin-4-yl)methyl)-4-methyl-2-oxo-5-(tetrahydro-2H-pyran-4-carbonyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)-2-(methylamino)propanamide dihydrochloride (41.4 mg, 81%) as a white solid. MS m/z 595 (MH)+.

WORKUP

后处理

  1. filtrationthe solids were collected by vacuum filtration