HRID173269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID72857

4-Bromo-m-cresol

C7H7BrO

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CCOC(=O)c1cccc2cc(B3OC(C)(C)C(C)(C)O3)sc12

HCID67527887

Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophene-7-carboxylate

C17H21BO4S

PRODUCTS

生成物

HCID68776970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bb070c4ff0d4bce8216ddc10e8e8d64
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:24][c:25]1[c:26]([CH3:32])[cH:27][c:28]([OH:31])[cH:29][cH:30]1.[C:33](=[O:34])([O-:35])[O-:36].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][c:10]2[c:11]1[s:12][c:13]([B:15]1[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]1)[cH:14]2.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[ClH:39].[Cs+:37].[Cs+:38].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[Pd+2:45]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][c:10]2[c:11]1[s:12][c:13](-[c:25]1[c:26]([CH3:32])[cH:27][c:28]([OH:31])[cH:29][cH:30]1)[cH:14]2