HRID182283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

结构：COc1nc2c(cc1I)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C

HCID5276330

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2nc1OC

HCID5276333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff1b6c6b54354914a769e7a0963e93ef
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

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