HRID1551885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10956204

未命名化合物

HCID21083637

未命名化合物

PRODUCTS

生成物

结构：Cc1ncccc1-c1cc(Cl)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID58694595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba73a85ce62847e587882e0f6d9fada6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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