HRID668820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID61138

4-Pentenoic acid

C5H8O2

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID54035333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4c37e6d2a894572b0e8b840efa55f49
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:20][c:21]1[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]1.[C:34]([CH2:35][CH2:36][CH:37]=[CH2:38])(=[O:39])[OH:40].[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:30][C:31](=[O:32])[O-:33].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[Cl-:47].[K+:29].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[Pd+2:69].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:21]1([CH:38]=[CH:37][CH2:36][CH2:35][C:34](=[O:39])[OH:40])[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]1