HRID1992501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16265612

未命名化合物

结构：CC(C)n1c(C(=O)O)cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21

HCID68538212

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21

HCID68534006

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized in analogy to example 47a), from 5-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1-isopropyl-1H-indole-2-carboxylic acid and 1-methanesulfonyl-piperazine hydrochloride. White solid. MS (m/z): 576.4 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5507a1e3a2794383a3ced27c86528e9e
来源数据集: uspto-grants-2010_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07648979B2
来源说明: uspto-grants-2010_01

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:14][CH2:13][CH2:12][N:11]([C:15]([C:17]2[CH:18]=[C:19]3[C:23](=[CH:24][CH:25]=2)[N:22]([CH:26]([CH3:28])[CH3:27])[C:21]([C:29]([OH:31])=O)=[CH:20]3)=[O:16])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.[CH3:33][S:34]([N:37]1[CH2:42][CH2:41][NH:40][CH2:39][CH2:38]1)(=[O:36])=[O:35]>>[C:1]([O:5][C:6]([N:8]1[CH2:14][CH2:13][CH2:12][N:11]([C:15]([C:17]2[CH:18]=[C:19]3[C:23](=[CH:24][CH:25]=2)[N:22]([CH:26]([CH3:28])[CH3:27])[C:21]([C:29]([N:40]2[CH2:41][CH2:42][N:37]([S:34]([CH3:33])(=[O:36])=[O:35])[CH2:38][CH2:39]2)=[O:31])=[CH:20]3)=[O:16])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]