HRID165568

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

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID66837

Benzoic acid, 3-(dimethylamino)-

C9H11NO2

HCID18413858

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(N(C)C)c3)ccc2Br)cc1OC

HCID9957535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-058bd0f193834944bcc2e71c4f3273c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:45]([Cl:46])[Cl:47].[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[CH3:57][O:58][C:59]([CH3:60])([CH3:61])[CH3:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH3:7][N:8]([c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][cH:17]1)[CH3:18].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[NH2:24][c:25]1[cH:26][cH:27][c:28]([Br:44])[c:29]([NH:31][C:32]([c:33]2[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][cH:38]2)=[O:43])[cH:30]1.[O:19]=[CH:20][N:21]([CH3:22])[CH3:23]>>[CH3:7][N:8]([c:9]1[cH:10][c:11]([C:12](=[O:14])[NH:24][c:25]2[cH:26][cH:27][c:28]([Br:44])[c:29]([NH:31][C:32]([c:33]3[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][cH:38]3)=[O:43])[cH:30]2)[cH:15][cH:16][cH:17]1)[CH3:18]