HRID696667

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-

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

结构：COC(=O)c1sc(Br)c(Br)c1OCC(=O)OC(C)(C)C

HCID17759316

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2ccccc2)c(Br)c1OCC(=O)OC(C)(C)C

HCID57640836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-189125db5918430cae4cf152277e8c23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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