HRID2104579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID589805

Ethyl 4-isocyanatobenzoate

C10H9NO3

结构：Nc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID11326798

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1

HCID66914066

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from [4-(3-amino-phenyl)-8-trifluoromethyl-quinolin-3-yl]-phenyl-methanone and 4-Isocyanato-benzoic acid ethyl ester according to the procedure of Example 65. HRMS: calcd for C33H24F3N3O4, 583.1719; found (ESI, [M+H]+), 584.1801.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8087d262dc04354b930351505913b9c
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07576215B2
来源说明: uspto-grants-2009_08

反应 SMILES

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