HRID673583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8821

Ethyl acrylate

C5H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

HCID58564425

未命名化合物

PRODUCTS

生成物

HCID67133443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccbd9f5dc3fd4555aa9c964f6a4a9b0d
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-:31].[Br:1][c:2]1[c:3]([O:9][CH2:10][c:11]2[c:12]([I:17])[cH:13][cH:14][cH:15][cH:16]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[C:23]([CH:24]=[CH2:25])(=[O:26])[O:27][CH2:28][CH3:29].[CH2:32]([N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[CH3:19][C:20](=[O:21])[O-:22].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:71][O:72][C:73]([CH3:74])([CH3:75])[CH3:76].[Na+:18].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[OH2:30].[Pd+2:56]>>[Br:1][c:2]1[c:3]([O:9][CH2:10][c:11]2[c:12]([CH:25]=[CH:24][C:23](=[O:26])[O:27][CH2:28][CH3:29])[cH:13][cH:14][cH:15][cH:16]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1