HRID1148240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID11464

4-Bromobenzoic acid

C7H5BrO2

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID1385867

N,N-Diethylethanaminium

C6H16N+

HCID10931787

4-ethynylbenzoyl Chloride

C9H5ClO

PRODUCTS

生成物

HCID10931787

4-ethynylbenzoyl Chloride

C9H5ClO

HCID13628190

4-[(Trimethylsilyl)ethynyl]benzoic acid

C12H14O2Si

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fbb6970f819417aa42b4e479c901be8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br-:28].[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[Cl:9])[cH:10][cH:11]1.[CH2:29]([NH+:30]([CH2:31][CH3:32])[CH2:33][CH3:34])[CH3:35].[CH3:22][Si:23]([CH3:24])([CH3:25])[C:26]#[CH:27].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[ClH:36].[OH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([Br:19])[cH:20][cH:21]1.[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[Cl:9])[cH:10][cH:11]1.[OH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([C:27]#[C:26][Si:23]([CH3:22])([CH3:24])[CH3:25])[cH:20][cH:21]1