HRID253813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

HCID439352

Dithioerythritol

C4H10O2S2

结构：CC(C)(C)OC(=O)N1CCC(N(C(=O)Nc2ncc(SC#N)s2)C2CCCCC2)CC1

HCID86611188

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccs1)N1CCC(N(C(=O)Nc2ncc(SCCN3CCOCC3)s2)C2CCCCC2)CC1

HCID57883741

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(N(C(=O)Nc2ncc(SCCN3CCOCC3)s2)C2CCCCC2)CC1

HCID86611191

未命名化合物

PROCEDURE

实验过程

4-{1-Cyclohexyl-3-[5-(2-morpholin-4-yl-ethylsulfanyl)-thiazol-2-yl]-ureido}-piperidine-1-carboxylic acid tert-butyl ester was prepared as described in general procedure (H) and (I) using 4-[1-cyclohexyl-3-(5-thiocyanato-thiazol-2-yl)-ureido]-piperidine-1-carboxylic acid tert-butyl ester, dithioerythritol and N-(2-chloroethyl)-morpholine. Removal of the Boc group and N-acylation using thiophene-2 carboxylic acid as described in general procedure (G), steps 3 and 4 gave the title compound.

WORKUP

后处理

customRemoval of the Boc group and N-acylation

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea41a9ef9b034fc58ee11e818682ee46
来源数据集: uspto-grants-2011_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07872139B2
来源说明: uspto-grants-2011_01

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]([CH:26]2[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]2)[C:15]([NH:17][C:18]2[S:19][C:20]([S:23]C#N)=[CH:21][N:22]=2)=[O:16])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].S[CH2:33][C@@H:34]([C@@H:36]([CH2:38][SH:39])O)O.Cl[CH2:41][CH2:42][N:43]1[CH2:48][CH2:47][O:46][CH2:45][CH2:44]1>>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][CH:11]([N:14]([CH:26]2[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]2)[C:15]([NH:17][C:18]2[S:19][C:20]([S:23][CH2:41][CH2:42][N:43]3[CH2:48][CH2:47][O:46][CH2:45][CH2:44]3)=[CH:21][N:22]=2)=[O:16])[CH2:12][CH2:13]1)=[O:7])([CH3:2])([CH3:3])[CH3:4].[CH:26]1([N:14]([CH:11]2[CH2:12][CH2:13][N:8]([C:6]([C:38]3[S:39][CH:33]=[CH:34][CH:36]=3)=[O:7])[CH2:9][CH2:10]2)[C:15]([NH:17][C:18]2[S:19][C:20]([S:23][CH2:41][CH2:42][N:43]3[CH2:48][CH2:47][O:46][CH2:45][CH2:44]3)=[CH:21][N:22]=2)=[O:16])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1