HRID2042833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID56840192

未命名化合物

结构：Nc1cc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)c(OCC(F)F)nc1N

HCID178507778

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NCc1ccc(Cl)c(NC(=S)Nc2cc(C(=O)N[C@H]3CC[C@H](C(F)(F)F)CC3)c(OCC(F)F)nc2N)c1Cl

HCID178447329

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

N-(2,4-Dichloro-3-isothiocyanato-benzyl)-2,2-dimethyl-propionamide (100 mg, 0.30 mmol) is added to 5,6-diamino-2-(2,2-difluoro-ethoxy)-N-(trans-4-trifluoromethyl-cyclohexyl)-nicotinamide (120 mg, 0.30 mmol) in DMF (5 mL) and it is stirred at rt overnight. The reaction mixture is diluted with water, extracted with EtOAc, the organic layer is washed with water, dried and concentrated to give the sub-title compound.

WORKUP

后处理

extractionextracted with EtOAc
washthe organic layer is washed with water
customdried
concentrationconcentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c40ac2ab71f4611a0a8694859f8c515
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[C:15]([N:16]=[C:17]=[S:18])=[C:14]([Cl:19])[CH:13]=[CH:12][C:3]=1[CH2:4][NH:5][C:6](=[O:11])[C:7]([CH3:10])([CH3:9])[CH3:8].[NH2:20][C:21]1[C:22]([NH2:45])=[N:23][C:24]([O:40][CH2:41][CH:42]([F:44])[F:43])=[C:25]([CH:39]=1)[C:26]([NH:28][C@H:29]1[CH2:34][CH2:33][C@H:32]([C:35]([F:38])([F:37])[F:36])[CH2:31][CH2:30]1)=[O:27]>CN(C=O)C.O>[Cl:1][C:2]1[C:15]([NH:16][C:17]([NH:20][C:21]2[CH:39]=[C:25]([C:26](=[O:27])[NH:28][C@H:29]3[CH2:30][CH2:31][C@H:32]([C:35]([F:38])([F:36])[F:37])[CH2:33][CH2:34]3)[C:24]([O:40][CH2:41][CH:42]([F:43])[F:44])=[N:23][C:22]=2[NH2:45])=[S:18])=[C:14]([Cl:19])[CH:13]=[CH:12][C:3]=1[CH2:4][NH:5][C:6](=[O:11])[C:7]([CH3:8])([CH3:9])[CH3:10]