HRID870995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733380

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate

C8H3F4NO

结构：NC(=O)c1c(-c2ccc(N)cc2)nsc1NC(=O)NCCCN1CCOCC1

HCID71621317

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)nsc1NC(=O)NCCCN1CCOCC1

HCID86689220

未命名化合物

收率 62%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID81531

Diisopropylethylamine

C8H19N

PROCEDURE

实验过程

In a manner similar to that described for Example 3 (, 3-(4-aminophenyl)-5-(3-(3-morpholinopropyl)ureido)isothiazole-4-carboxamide (12 mg, 0.030 mmol), 3 drops N,N-diisopropylethylamine, and 2-fluoro-5-(trifluoromethyl)phenyl isocyanate (0.0087 mL, 0.060 mmol) was used to give the title compound as a white solid (11 mg, 62%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78c8c7641b4143e69177360a9fb0c9d4
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08969583B2
来源说明: uspto-grants-2015_03

反应 SMILES

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