HRID1258679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12734

Diisopropylcarbodiimide

C7H14N2

结构：CC(C)(C)OC(=O)NCc1ccc(Cl)c(N=C=S)c1Cl

HCID56840196

未命名化合物

HCID67957692

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2c(Cl)ccc(CNC(=O)OC(C)(C)C)c2Cl)nc2cc(Cl)c(N3CCCC(C(F)(F)F)C3)cc21

HCID86674334

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

The title compound was prepared from (2,4-dichloro-3-isothiocyanato-benzyl)-carbamic acid tert-butyl ester (5.47 g, 16.4 mmol), 5-chloro-2-methylamino-4-(3-(trifluoromethyl)piperidin-1-yl)aniline (5.05 g, 16.4 mmol) and DIC 4.48 ml, 29 mmol) in MeCN in analogy to example 6 step (c).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb1107fed98b49369f0e3321f82e1200
来源数据集: uspto-grants-2013_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08466186B2
来源说明: uspto-grants-2013_06

反应 SMILES

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