HRID18591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23090214

1,4-Oxazepane--hydrogen chloride (1/1)

C5H12ClNO

结构：CC(C)N1CCC(NC(=O)c2nc3c(C(=O)O)scc3n2CC(=O)Nc2ccc(Cl)cn2)CC1

HCID67011581

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(NC(=O)c2nc3c(C(=O)N4CCCOCC4)scc3n2CC(=O)Nc2ccc(Cl)cn2)CC1

HCID67013252

未命名化合物

PROCEDURE

实验过程

3-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-6-([1,4]oxazepane-4-carbonyl)-3H-thieno[3,4-d]imidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide was prepared by a procedure according to example 22 starting from 80 mg (0.158 mmol) 3-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-3H-thieno[3,4-d]imidazole-6-carboxylic acid and 21.8 mg (0.158 mmol) homomorpholine-hydrochloride. The title compound was obtained as its formiate in form of a white amorphous solid.

WORKUP

后处理

custom3-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-6-([1,4]oxazepane-4-carbonyl)-3H-thieno[3,4-d]imidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide was prepared by a procedure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b65ba3092cdf44b09c4b4628f7a4aeab
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07741341B2
来源说明: uspto-grants-2010_06

反应 SMILES

[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([NH:8][C:9]([CH2:11][N:12]2[C:16]3=[CH:17][S:18][C:19]([C:20]([OH:22])=O)=[C:15]3[N:14]=[C:13]2[C:23](=[O:34])[NH:24][CH:25]2[CH2:30][CH2:29][N:28]([CH:31]([CH3:33])[CH3:32])[CH2:27][CH2:26]2)=[O:10])=[N:6][CH:7]=1.[CH2:35]1[CH2:41][O:40][CH2:39][CH2:38][NH:37][CH2:36]1.Cl>>[CH:31]([N:28]1[CH2:29][CH2:30][CH:25]([NH:24][C:23]([C:13]2[N:12]([CH2:11][C:9](=[O:10])[NH:8][C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][N:6]=3)[C:16]3[C:15](=[C:19]([C:20]([N:37]4[CH2:36][CH2:35][CH2:41][O:40][CH2:39][CH2:38]4)=[O:22])[S:18][CH:17]=3)[N:14]=2)=[O:34])[CH2:26][CH2:27]1)([CH3:32])[CH3:33]