HRID2128479

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

HCID1061

Phosphate

O4P-3

HCID105144

Palladium(2+)

Pd+2

HCID292184

2,4,6-Trimethylphenylboronic acid

C9H13BO2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID44119473

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(-c2cccc3c(C)n(C)nc23)c(C)c1

HCID58861008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d4d9313fa974aed986b5955453bafa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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