HRID879516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53167

1-Methylpiperazine

C5H12N2

结构：CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3nccc(Cl)n3)sc2c1-c1ccc(Cl)cc1

HCID86700335

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3nccc(N4CCN(C)CC4)n3)sc2c1-c1ccc(Cl)cc1

HCID86700336

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

To (S)-ethyl 2-tert-butoxy-2-(7-(4-chlorophenyl)-2-(4-chloropyrimidin-2-yl)-5-methylbenzo[d]thiazol-6-yl)acetate (30 mg, 0.06 mmol) in dioxane (1 mL) was added 1-methylpiperazine (56.7 mg, 0.063 mL, 0.566 mmol). The RM was stirred at room temperature for 20 minutes, concentrated, and used without further purification. LCMS-ESI+ calc'd for C31H37ClN5O3S (M+H+): 594.2; Found: 593.7 (M+H+).

WORKUP

后处理

concentrationconcentrated
customused without further purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bee9a148b604531aed6ca14d784ea12
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08987250B2
来源说明: uspto-grants-2015_03

反应 SMILES

[C:1]([O:5][C@@H:6]([C:12]1[C:27]([CH3:28])=[CH:26][C:15]2[N:16]=[C:17]([C:19]3[N:24]=[C:23](Cl)[CH:22]=[CH:21][N:20]=3)[S:18][C:14]=2[C:13]=1[C:29]1[CH:34]=[CH:33][C:32]([Cl:35])=[CH:31][CH:30]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8])([CH3:4])([CH3:3])[CH3:2].[CH3:36][N:37]1[CH2:42][CH2:41][NH:40][CH2:39][CH2:38]1>O1CCOCC1>[C:1]([O:5][C@@H:6]([C:12]1[C:27]([CH3:28])=[CH:26][C:15]2[N:16]=[C:17]([C:19]3[N:24]=[C:23]([N:40]4[CH2:41][CH2:42][N:37]([CH3:36])[CH2:38][CH2:39]4)[CH:22]=[CH:21][N:20]=3)[S:18][C:14]=2[C:13]=1[C:29]1[CH:30]=[CH:31][C:32]([Cl:35])=[CH:33][CH:34]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8])([CH3:4])([CH3:2])[CH3:3]