HRID312721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID13614033

Methyl 3-iodo-4-methylbenzoate

C9H9IO2

PRODUCTS

生成物

HCID59436707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e9427191b244437b3bab280f5ae1955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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