HRID300215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8821

Ethyl acrylate

C5H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID21413

Quinoline, 3-bromo-

C9H6BrN

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID53657281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d3656d4c667493f8e6c55ad1fb17e8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:29].[Br:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1.[C:12]([CH:13]=[CH2:14])(=[O:15])[O:16][CH2:17][CH3:18].[C:19](=[O:20])([OH:21])[O-:22].[CH3:30][CH2:31][CH2:32][CH2:33][N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Na+:23].[O-:48][C:49]([CH3:50])=[O:51].[O-:52][C:53]([CH3:54])=[O:55].[O:24]=[CH:25][N:26]([CH3:27])[CH3:28].[Pd+2:47]>>[c:2]1([CH:14]=[CH:13][C:12](=[O:15])[O:16][CH2:17][CH3:18])[cH:3][n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1