HRID1486126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：C[C@H]1[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N1C(=O)C1CCOCC1

HCID118292724

未命名化合物

PRODUCTS

生成物

结构：C[C@H]1[C@H](N)C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N1C(=O)C1CCOCC1.Cl.Cl

HCID90082427

未命名化合物

收率 91%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3283

Diethyl Ether

C4H10O

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

A rt solution of tert-butyl(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-ylcarbamate (69 mg, 113 μmol) in 4 M HCl in dioxane (566 μl) was stirred for 2 h. The reaction was diluted with Et2O and the solids were collected by vacuum filtration to provide (3S,4S)-3-amino-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]diazepine-7-carbonitrile dihydrochloride (60 mg, 91%) as a white solid.

WORKUP

后处理

filtrationthe solids were collected by vacuum filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f304442355434e27a263e9815c9ca3f7
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09422331B2
来源说明: uspto-grants-2016_08

反应 SMILES

[C:1]([C:3]1[CH:45]=[CH:44][C:6]2[N:7]([CH2:30][C:31]3[C:40]4[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=4)[N:34]=[CH:33][C:32]=3[CH:41]3[CH2:43][CH2:42]3)[C:8](=[O:29])[C@@H:9]([NH:21]C(=O)OC(C)(C)C)[C@H:10]([CH3:20])[N:11]([C:12]([CH:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)=[O:13])[C:5]=2[CH:4]=1)#[N:2].[ClH:46]>O1CCOCC1.CCOCC>[ClH:46].[ClH:46].[NH2:21][C@@H:9]1[C:8](=[O:29])[N:7]([CH2:30][C:31]2[C:40]3[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=3)[N:34]=[CH:33][C:32]=2[CH:41]2[CH2:43][CH2:42]2)[C:6]2[CH:44]=[CH:45][C:3]([C:1]#[N:2])=[CH:4][C:5]=2[N:11]([C:12]([CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)=[O:13])[C@H:10]1[CH3:20]