HRID1138232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID334098

2-[3-(Bromomethyl)phenyl]-1H-isoindole-1,3(2H)-dione

C15H10BrNO2

HCID54127829

未命名化合物

PRODUCTS

生成物

结构：CCN(CC=CC#CC(C)(C)C)Cc1cccc(N2C(=O)c3ccccc3C2=O)c1

HCID54314645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e4ceebda97f47da8926d5c59e5fd3eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[cH:4][c:5]([N:9]2[C:10](=[O:19])[c:11]3[c:12]([cH:15][cH:16][cH:17][cH:18]3)[C:13]2=[O:14])[cH:6][cH:7][cH:8]1.[C:33](=[O:34])([O-:35])[O-:36].[CH2:21]([CH3:22])[NH:23][CH2:24][CH:25]=[CH:26][C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[ClH:20].[K+:37].[K+:38]>>[CH2:2]([c:3]1[cH:4][c:5]([N:9]2[C:10](=[O:19])[c:11]3[c:12]([cH:15][cH:16][cH:17][cH:18]3)[C:13]2=[O:14])[cH:6][cH:7][cH:8]1)[N:23]([CH2:21][CH3:22])[CH2:24][CH:25]=[CH:26][C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32]