HRID2346274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID88707

5-Bromonicotinic acid

C6H4BrNO2

HCID15617780

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N(NC(=O)c1cncc(Br)c1)C(=O)c1ccc(Cl)cc1

HCID15767547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d61bac2869c94b05849a38bfede8c392
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:16][c:17]1[cH:18][n:19][cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]([NH2:6])[C:7]([c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)=[O:15].[C:31](=[O:32])([OH:33])[O-:34].[CH2:36]([Cl:37])[Cl:38].[CH2:39]([Cl:40])[Cl:41].[CH3:26][S:27](=[O:28])(=[O:29])[Cl:30].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Na+:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]([NH:6][C:22]([c:21]1[cH:20][n:19][cH:18][c:17]([Br:16])[cH:25]1)=[O:23])[C:7]([c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)=[O:15]