HRID151850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6212

Chloroform

CHCl3

HCID69573

p-(Trifluoromethoxy)benzaldehyde

C8H5F3O2

结构：CC(C)(C)OC(=O)Nc1ccc(-c2noc(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID66968928

未命名化合物

HCID178452743

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(-c2noc(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID57824505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-101717d57e7a42689b468914d8d09daf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][o:16][c:17](-[c:19]3[cH:20][cH:21][c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]3)[n:18]2)[cH:12][cH:13]1)([CH3:5])([CH3:6])[CH3:30].[C:31]([O:32][C:33](=[O:34])[NH:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[NH:41])[NH:42][OH:43])[cH:44][cH:45]1)([CH3:46])([CH3:47])[CH3:48].[CH3:62][C:63](=[O:64])[OH:65].[Cl:66][CH:67]([Cl:68])[Cl:69].[F:49][C:50]([F:51])([F:52])[O:53][c:54]1[cH:55][cH:56][c:57]([CH:58]=[O:59])[cH:60][cH:61]1>>[NH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][o:16][c:17](-[c:19]3[cH:20][cH:21][c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]3)[n:18]2)[cH:12][cH:13]1