HRID284626

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

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID81970

4-Bromo-3,5-xylenol

C8H9BrO

HCID105144

Palladium(2+)

Pd+2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：COC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1C

HCID57422592

Methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C15H21BO4

PRODUCTS

生成物

HCID57787600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34a3548fb68e428996297ddc2edfe088
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

[Br:21][c:22]1[c:23]([CH3:30])[cH:24][c:25]([OH:29])[cH:26][c:27]1[CH3:28].[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][c:11]1[B:12]1[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]1.[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[c:46]([O:47][CH3:48])[cH:49][cH:50][cH:51][c:52]2[O:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[K+:65].[K+:66].[K+:67].[OH2:77].[P:60]([O-:61])([O-:62])([O-:63])=[O:64].[Pd+2:72]>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][cH:9][cH:10][c:11]1-[c:22]1[c:23]([CH3:30])[cH:24][c:25]([OH:29])[cH:26][c:27]1[CH3:28]