HRID198132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID68539411

未命名化合物

PRODUCTS

生成物

HCID68545676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e22dbc6fbb984c909f601ec6ec043a2f
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

[CH2:76]1[O:77][CH2:78][CH2:79][O:80][CH2:81]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([O:51][CH3:52])[cH:53][cH:54][cH:55][c:56]2[O:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([NH2:17])[cH:15][cH:16]1)[cH:9][n:10]2.[K+:32].[K+:33].[K+:34].[N:64]#[N:65].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[OH2:75].[P:27]([O-:28])([O-:29])([O-:30])=[O:31].[Pd+2:66].[n:18]1[cH:19][c:20]([B:24]([OH:25])[OH:26])[cH:21][cH:22][cH:23]1>>[c:2]1(-[c:20]2[cH:19][n:18][cH:23][cH:22][cH:21]2)[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8](-[c:11]1[cH:12][cH:13][c:14]([NH2:17])[cH:15][cH:16]1)[cH:9][n:10]2