HRID2042818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID86646343

未命名化合物

结构：CNc1nc(OCC(F)F)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1N

HCID178482445

未命名化合物

PRODUCTS

生成物

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

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6342

Acetonitrile

C2H3N

PROCEDURE

实验过程

N-(4-Chloro-3-isothiocyanatobenzyl)-2,2-dimethyl-propionamide (68 mg, 0.24 mmol) is added to 5-amino-2-(2,2-difluoro-ethoxy)-6-methylamino-N-(trans-4-trifluoromethyl-cyclohexyl)-nicotinamide (95 mg, 0.24 mmol) in MeCN (3.5 mL) and stirred at rt overnight. The reaction mixture is concentrated and used directly in the next step without further purification.

WORKUP

后处理

concentrationThe reaction mixture is concentrated
customused directly in the next step without further purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce59b1bd9d694902b692a36ae209060c
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

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