HRID168732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID3435097

Triisopropylsilanethiol

C9H22SSi

HCID4574913

未命名化合物

HCID12581092

5-(4-Bromophenyl)-1-methyl-1H-pyrazole

C10H9BrN2

PRODUCTS

生成物

结构：CC(C)[Si](Sc1ccc(-c2ccnn2C)cc1)(C(C)C)C(C)C

HCID66657463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55154970c9174651817caf4680470356
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][cH:4][c:5](-[c:8]2[cH:9][cH:10][n:11][n:12]2[CH3:13])[cH:6][cH:7]1.[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH3:14][C:15]([CH3:16])([O-:17])[CH3:18].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH:26]([CH3:27])([CH3:28])[Si:29]([SH:30])([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36].[Na+:19].[Pd+2:47]>>[c:2]1([S:30][Si:29]([CH:26]([CH3:27])[CH3:28])([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][n:11][n:12]2[CH3:13])[cH:6][cH:7]1