HRID145118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6327

Chloromethane

CH3Cl

HCID7964

Chlorobenzene

C6H5Cl

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

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-48e01e7005424157bf95c6e36ddb4868
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-:28].[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].[CH2:29]([N+:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:26][Cl:27].[CH3:46][C:47](=[O:48])[OH:49].[Cl:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[I-:25].[K+:23].[K+:24].[OH-:22].[OH2:50]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N:18]([C:19]([CH3:20])=[O:21])[CH3:26])[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]