HRID1470950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C2CCC(c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)n4)cc3)N2c2ccc(C(C)(C)C)cc2)cc1

HCID178451942

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(N2C(c3ccc(NC(=O)[C@H]4CCCN4)cc3)CCC2c2ccc(-c3c[nH]c([C@@H]4CCCN4)n3)cc2)cc1.Cl

HCID178440993

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

The product from Example 40E (610 mg, 0.76 mmol), in 2M hydrochloric acid in dioxane solution (10 mL) was reacted according to the procedure in Example 39I to provide the title compound (495 mg) as a hydrochloride salt and a mixture of stereoisomers.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ed4e8d85bbd45e289b79e0e7935b901
来源数据集: uspto-grants-2015_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09006387B2
来源说明: uspto-grants-2015_04

反应 SMILES

C(OC([N:8]1[CH2:12][CH2:11][CH2:10][C@H:9]1[C:13]1[NH:14][CH:15]=[C:16]([C:18]2[CH:23]=[CH:22][C:21]([CH:24]3[N:28]([C:29]4[CH:34]=[CH:33][C:32]([C:35]([CH3:38])([CH3:37])[CH3:36])=[CH:31][CH:30]=4)[CH:27]([C:39]4[CH:44]=[CH:43][C:42]([NH:45][C:46]([C@H:48]5[CH2:52][CH2:51][CH2:50][N:49]5C(OC(C)(C)C)=O)=[O:47])=[CH:41][CH:40]=4)[CH2:26][CH2:25]3)=[CH:20][CH:19]=2)[N:17]=1)=O)(C)(C)C.[ClH:60]>O1CCOCC1>[ClH:60].[C:35]([C:32]1[CH:31]=[CH:30][C:29]([N:28]2[CH:24]([C:21]3[CH:20]=[CH:19][C:18]([C:16]4[N:17]=[C:13]([C@@H:9]5[CH2:10][CH2:11][CH2:12][NH:8]5)[NH:14][CH:15]=4)=[CH:23][CH:22]=3)[CH2:25][CH2:26][CH:27]2[C:39]2[CH:40]=[CH:41][C:42]([NH:45][C:46]([C@H:48]3[CH2:52][CH2:51][CH2:50][NH:49]3)=[O:47])=[CH:43][CH:44]=2)=[CH:34][CH:33]=1)([CH3:38])([CH3:36])[CH3:37]