HRID1138810

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

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID11392184

1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

C10H5ClF3N3O2

HCID67390699

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(CC(=O)NC(C)C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl

HCID16097743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0852bb5a9364d93aa8f937477a3fd2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:53][N:54]([CH3:55])[c:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[c:3](-[n:8]2[n:9][c:10]([C:16]([F:17])([F:18])[F:19])[cH:11][c:12]2[C:13](=[O:14])[OH:15])[n:4][cH:5][cH:6][cH:7]1.[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[Cl:50][CH2:51][Cl:52].[NH2:26][c:27]1[c:28]([CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH3:39])[CH3:40])[cH:29][cH:30][cH:31][c:32]1[CH3:33].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[Cl:1][c:2]1[c:3](-[n:8]2[n:9][c:10]([C:16]([F:17])([F:18])[F:19])[cH:11][c:12]2[C:13](=[O:15])[NH:26][c:27]2[c:28]([CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH3:39])[CH3:40])[cH:29][cH:30][cH:31][c:32]2[CH3:33])[n:4][cH:5][cH:6][cH:7]1