HRID366786

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1512539

[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid

C12H21NO4

HCID15780501

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1

HCID23289857

未命名化合物

收率 83.5%

PROCEDURE

实验过程

The title compound (563 mg) was prepared similarly from 1-(8-chloro-5,11-dihydro-[1]benzothiepino[4,3-b]pyridin-11-yl)-piperazine (400 mg, 1.21 mmol) and 1-(1,1-dimethylethoxycarbonyl)-4-piperidine-acetic acid (589 mg, 2.42 mmol); MS (CI, M+H)=557; HRMS: calc.: 557.2353; found: 557.2351.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de519ca0d91e4ee591cefd718bc0364f
来源数据集: uspto-grants-2000_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06130229
来源说明: uspto-grants-2000_10

反应 SMILES

[Cl:1][C:2]1[CH:22]=[CH:21][C:5]2[CH:6]([N:15]3[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]3)[C:7]3[C:12]([CH2:13][S:14][C:4]=2[CH:3]=1)=[CH:11][CH:10]=[CH:9][N:8]=3.[CH3:23][C:24]([CH3:39])([O:26][C:27]([N:29]1[CH2:34][CH2:33][CH:32]([CH2:35][C:36](O)=[O:37])[CH2:31][CH2:30]1)=[O:28])[CH3:25]>>[Cl:1][C:2]1[CH:22]=[CH:21][C:5]2[CH:6]([N:15]3[CH2:16][CH2:17][N:18]([C:36](=[O:37])[CH2:35][CH:32]4[CH2:33][CH2:34][N:29]([C:27]([O:26][C:24]([CH3:25])([CH3:23])[CH3:39])=[O:28])[CH2:30][CH2:31]4)[CH2:19][CH2:20]3)[C:7]3[C:12]([CH2:13][S:14][C:4]=2[CH:3]=1)=[CH:11][CH:10]=[CH:9][N:8]=3