HRID139369

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：CC(=O)Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O

HCID7730236

N-(4-Bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide

C16H10BrNO3

PRODUCTS

生成物

结构：CC(=O)N(C)c1ccc(Br)c2c1C(=O)c1ccccc1C2=O

HCID80770

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

C17H12BrNO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-939b4bbe42c9401bb3a50e8a38e9cb9b
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

[Br-:26].[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:18][C:19]([CH3:20])=[O:21])[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].[CH2:27]([N+:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH3:43].[CH3:24][I:25].[Cl:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[K+:23].[OH-:22]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N:18]([C:19]([CH3:20])=[O:21])[CH3:24])[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]