HRID672887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6328

Methyl iodide

CH3I

HCID7964

Chlorobenzene

C6H5Cl

HCID16028

Tetrabutylammonium

C16H36N+

结构：O=C(Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O)c1ccccc1

HCID66478

Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-

C21H12BrNO3

PRODUCTS

生成物

结构：CN(C(=O)c1ccccc1)c1ccc(Br)c2c1C(=O)c1ccccc1C2=O

HCID19799445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8220b541253c4975ac5c837e1e9c9877
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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