HRID228090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID581831

1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid

C11H19NO4

结构：CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2)CC1

HCID58714305

未命名化合物

PRODUCTS

生成物

结构：CN1CCCCC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1

HCID21060071

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCCC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2NS(C)(=O)=O)CC1

HCID69077408

未命名化合物

PROCEDURE

实验过程

tert-Butyl 2-{N-[(1R)-1-[(4-chlorophenyl)methyl]-2-(4-{2-[(methylsulfonyl)amino]phenyl}piperazinyl)-2-oxoethyl]carbamoyl}piperidinecarboxylate was prepared according to the procedure described in Preparation V by using piperidine-1,2-dicarboxylic acid 1-tert-butyl ester (Aldrich) (82 mg, 0.36 mmol) and (2R)-2-amino-3-(4-chlorophenyl)-1-(4-{2-[(methylsulfonyl}-amino]phenyl)piperazinyl) propan-1-one. The desired compound was isolated as a white solid (106 mg). MS (ESI, pos. ion) m/z: 648 (M+H); (ESI, neg. ion) m/z: 646 (M−H). Calc'd for C31H42ClN5O6S: 647.25.

WORKUP

后处理

customdescribed in Preparation V

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-942cfba090534136a91def0381c3b873
来源数据集: uspto-grants-2009_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07560460B2
来源说明: uspto-grants-2009_07

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH:9]1[C:14]([OH:16])=[O:15])=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:17][C@H:18]([CH2:38][C:39]1[CH:44]=[CH:43][C:42]([Cl:45])=[CH:41][CH:40]=1)[C:19]([N:21]1[CH2:26][CH2:25][N:24]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=2[NH:33][S:34]([CH3:37])(=[O:36])=[O:35])[CH2:23][CH2:22]1)=[O:20]>>[Cl:45][C:42]1[CH:43]=[CH:44][C:39]([CH2:38][C@@H:18]([NH:17][C:14]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][N:8]2[C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7])=[O:16])[C:19]([N:21]2[CH2:26][CH2:25][N:24]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=3[NH:33][S:34]([CH3:37])(=[O:35])=[O:36])[CH2:23][CH2:22]2)=[O:20])=[CH:40][CH:41]=1.[Cl:45][C:42]1[CH:41]=[CH:40][C:39]([CH2:38][C@@H:18]([NH:17][C:14]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][N:8]2[CH3:6])=[O:15])[C:19]([N:21]2[CH2:22][CH2:23][N:24]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=3[NH:33][S:34]([CH3:37])(=[O:35])=[O:36])[CH2:25][CH2:26]2)=[O:20])=[CH:44][CH:43]=1