HRID211387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID312183

4-Boronobenzoic acid

C7H7BO4

HCID605723

Ethyl 5-bromothiophene-2-carboxylate

C7H7BrO2S

PRODUCTS

生成物

HCID58968872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-551aa4fce4864b90bcf010205c2b5bd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br-:32].[Br:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[s:6]1.[C:12](=[O:13])([OH:14])[c:15]1[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]1.[C:24](=[O:25])([O-:26])[O-:27].[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:33][CH2:34][CH2:35][CH2:36][N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49].[ClH:30].[K+:28].[K+:29].[OH2:31].[Pd+2:54]>>[c:2]1(-[c:18]2[cH:17][cH:16][c:15]([C:12](=[O:13])[OH:14])[cH:20][cH:19]2)[cH:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[s:6]1