HRID1189703

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

2 次

结构：CCOC(=O)c1cc(N)c(NC)cc1N1CCC(C(F)(F)F)CC1

HCID67956899

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)OC(C)(C)C)c3Cl)n(C)c2cc1N1CCC(C(F)(F)F)CC1

HCID67957208

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

The title compound is prepared in analogy to 1e from ethyl-2-[4-trifluoromethyl-piperidinyl]-4-methylamino-5-amino-benzoate (compound 52b, 4.31 g, 12.5 mmol), (2,4-dichloro-3-isothiocyanato-benzyl)-carbamic acid tert-butyl ester (compound B; 4.16 g, 12.5 mmol), DIC (2.17 mL, 15.4 mmol) and DMF (50 mL). Yield: 6.9 g. HPLC Rt=1.49 min (method A). MS m/z: 644 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7cc978e15754b538029a66c8a01ec3f
来源数据集: uspto-grants-2014_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08674113B2
来源说明: uspto-grants-2014_03

反应 SMILES

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