HRID2042819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12734

Diisopropylcarbodiimide

C7H14N2

结构：CNc1nc(OCC(F)F)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1NC(=S)Nc1cc(CNC(=O)C(C)(C)C)ccc1Cl

HCID178482446

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2cc(CNC(=O)C(C)(C)C)ccc2Cl)nc2cc(C(=O)N[C@H]3CC[C@H](C(F)(F)F)CC3)c(OCC(F)F)nc21

HCID178481212

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

CONDITIONS

反应条件

温度: 60 °C

PROCEDURE

实验过程

DIC (40 μL, 0.24 mmol) is added to a mixture of N-{4-chloro-3-[3-(trans-4-trifluoromethyl-cyclohexylcarbamoyl)-2-(2,2-difluoro-ethoxy)-6-methylamino-pyridin-5-ylthioureido]benzyl}-2,2-dimethyl-propionamide (135 mg, 0.20 mmol) and MeCN (3.5 mL). The reaction mixture is stirred at 60° C. overnight, allowed to cool and concentrated. The residue is treated with MeCN, filtered off and dried.

WORKUP

后处理

temperatureto cool
concentrationconcentrated
additionThe residue is treated with MeCN
filtrationfiltered off
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6849ae1aa4b41d5924c0b797305cc8f
来源数据集: uspto-grants-2013_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08586604B2
来源说明: uspto-grants-2013_11

反应 SMILES

CC(C)N=C=NC(C)C.[Cl:10][C:11]1[CH:24]=[CH:23][C:14]([CH2:15][NH:16][C:17](=[O:22])[C:18]([CH3:21])([CH3:20])[CH3:19])=[CH:13][C:12]=1[NH:25][C:26]([NH:28][C:29]1[CH:30]=[C:31]([C:42](=[O:54])[NH:43][C@H:44]2[CH2:49][CH2:48][C@H:47]([C:50]([F:53])([F:52])[F:51])[CH2:46][CH2:45]2)[C:32]([O:37][CH2:38][CH:39]([F:41])[F:40])=[N:33][C:34]=1[NH:35][CH3:36])=S>CC#N>[Cl:10][C:11]1[CH:24]=[CH:23][C:14]([CH2:15][NH:16][C:17](=[O:22])[C:18]([CH3:21])([CH3:20])[CH3:19])=[CH:13][C:12]=1[NH:25][C:26]1[N:35]([CH3:36])[C:34]2=[N:33][C:32]([O:37][CH2:38][CH:39]([F:41])[F:40])=[C:31]([C:42](=[O:54])[NH:43][C@H:44]3[CH2:49][CH2:48][C@H:47]([C:50]([F:53])([F:52])[F:51])[CH2:46][CH2:45]3)[CH:30]=[C:29]2[N:28]=1