HRID189350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID67883

4-Fluorostyrene

C8H7F

HCID105144

Palladium(2+)

Pd+2

HCID2049781

3-[(4-BROMOPHENYL)SULFONYL]PROPANENITRILE

C9H8BrNO2S

PRODUCTS

生成物

结构：N#CCCS(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1

HCID68534504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b60527ba297048f8b4a3e29c14a7d838
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:15][c:16]1[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][C:27]#[N:28])[cH:20][cH:21]1.[CH3:29][N:30]1[CH2:31][CH2:32][CH2:33][C:34]1=[O:35].[CH3:2][C:3](=[O:4])[O-:5].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[F:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[CH2:12])[cH:13][cH:14]1.[Na+:1].[O-:44][C:45]([CH3:46])=[O:47].[O-:48][C:49]([CH3:50])=[O:51].[OH2:36].[Pd+2:43]>>[F:6][c:7]1[cH:8][cH:9][c:10]([CH:11]=[CH:12][c:16]2[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][C:27]#[N:28])[cH:20][cH:21]2)[cH:13][cH:14]1