HRID201360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID136285

2-Bromo-4,6-Difluoroaniline

C6H4BrF2N

HCID11587535

3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid

C9H5BrClN3O2

PRODUCTS

生成物

结构：O=C(Nc1c(F)cc(F)cc1Br)c1cc(Br)nn1-c1ncccc1Cl

HCID11684615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcf7ae79290744ddbda984afbaf1af83
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

[Br:30][c:31]1[c:32]([NH2:33])[c:34]([F:39])[cH:35][c:36]([F:38])[cH:37]1.[Br:7][c:8]1[n:9][n:10](-[c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[Cl:22])[c:11]([C:13](=[O:14])[OH:15])[cH:12]1.[CH2:40]([Cl:41])[Cl:42].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6]>>[Br:7][c:8]1[n:9][n:10](-[c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[Cl:22])[c:11]([C:13](=[O:15])[NH:33][c:32]2[c:31]([Br:30])[cH:37][c:36]([F:38])[cH:35][c:34]2[F:39])[cH:12]1