HRID172966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID10855372

Prop-1-en-2-ylboronic Acid

C3H7BO2

HCID67140539

未命名化合物

PRODUCTS

生成物

HCID67140819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b46b49f7e6cd4ed4b788039f5d5659ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([N+:12](=[O:13])[O-:14])[c:9]1[O:10][CH3:11].[C:16](=[CH2:17])([CH3:18])[B:19]([OH:20])[OH:21].[C:22](=[O:23])([O-:24])[O-:25].[CH2:28]([CH2:29][O:30][CH3:31])[O:32][CH3:33].[K+:26].[K+:27].[OH2:15].[Pd:34].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[c:2]1([C:16](=[CH2:17])[CH3:18])[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([N+:12](=[O:13])[O-:14])[c:9]1[O:10][CH3:11]