HRID2159203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID222

Ammonia gas

H3N

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID22318945

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O

HCID9924495

Perampanel

C23H15N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c63dc5fa78a4042a713e06c17485f64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[c:10](=[O:21])[nH:11][cH:12][c:13](-[c:15]3[n:16][cH:17][cH:18][cH:19][cH:20]3)[cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[C:42]([O-:43])(=[O:44])[CH3:45].[C:47]([O-:48])(=[O:49])[CH3:50].[CH2:39]([Cl:40])[Cl:41].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cu+2:46].[NH3:38].[OH2:57].[c:22]1([B:28]([OH:29])[OH:30])[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[c:10](=[O:21])[n:11](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:12][c:13](-[c:15]3[n:16][cH:17][cH:18][cH:19][cH:20]3)[cH:14]2)[cH:5][cH:6][cH:7][cH:8]1