HRID808281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2734084

2-Chloro-4-(trifluoromethoxy)aniline

C7H5ClF3NO

HCID21942568

5-Cyano-2-methoxybenzoic acid

C9H7NO3

PRODUCTS

生成物

结构：COc1ccc(C#N)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1Cl

HCID23141520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ddff1488f6745ea826e8c1c421ec117
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:12][CH3:13])[c:7]([C:8](=[O:9])[OH:10])[cH:11]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:42][CH2:43][Cl:44].[F:20][C:21]([O:22][c:23]1[cH:24][c:25]([Cl:30])[c:26]([NH2:27])[cH:28][cH:29]1)([F:31])[F:32].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:12][CH3:13])[c:7]([C:8](=[O:10])[NH:27][c:26]2[c:25]([Cl:30])[cH:24][c:23]([O:22][C:21]([F:20])([F:31])[F:32])[cH:29][cH:28]2)[cH:11]1