HRID675458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID12913858

2-(2-Bromoethyl)pyridine

C7H8BrN

HCID45139626

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NCc2ccccn2)c(C(=O)c2ccc(C(C)C)cc2)c1

HCID60112811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52b07839f7b740629e67accd255e2aae
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:8][CH2:9][CH2:10][c:11]1[n:12][cH:13][cH:14][cH:15][cH:16]1.[BrH:7].[C:1](=[O:2])([O-:3])[O-:4].[CH3:37][C:38](=[O:39])[CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[K+:5].[K+:6].[NH2:17][c:18]1[c:19]([C:26](=[O:27])[c:28]2[cH:29][cH:30][c:31]([CH:34]([CH3:35])[CH3:36])[cH:32][cH:33]2)[cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]1>>[CH2:10]([c:11]1[n:12][cH:13][cH:14][cH:15][cH:16]1)[NH:17][c:18]1[c:19]([C:26](=[O:27])[c:28]2[cH:29][cH:30][c:31]([CH:34]([CH3:35])[CH3:36])[cH:32][cH:33]2)[cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]1