HRID209491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID55278958

2-Chloro-3-fluoro-N-methylbenzenamine

C7H7ClFN

结构：Cc1cc(C(F)(F)F)nc(=O)n1-c1cc(C(=O)O)ccc1Cl

HCID68603767

Benzoic acid, 4-chloro-3-[6-methyl-2-oxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-

C13H8ClF3N2O3

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nc(=O)n1-c1cc(C(=O)N(C)c2cccc(F)c2Cl)ccc1Cl

HCID59370336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2928ee470b9d49908e8ecc58c8690e3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:34][NH:35][c:36]1[c:37]([Cl:43])[c:38]([F:42])[cH:39][cH:40][cH:41]1.[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[Cl:1][c:2]1[c:3](-[n:11]2[c:12](=[O:22])[n:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][c:16]2[CH3:17])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[Cl:44][CH2:45][CH2:46][Cl:47].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33]>>[Cl:1][c:2]1[c:3](-[n:11]2[c:12](=[O:22])[n:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][c:16]2[CH3:17])[cH:4][c:5]([C:6](=[O:8])[N:35]([CH3:34])[c:36]2[c:37]([Cl:43])[c:38]([F:42])[cH:39][cH:40][cH:41]2)[cH:9][cH:10]1