HRID666327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID408343

Diethyl 2-aminopentanedioate

C9H17NO4

HCID2763209

2-Bromo-4-thiazolecarboxylic acid

C4H2BrNO2S

PRODUCTS

生成物

结构：CCOC(=O)CCC(NC(=O)c1csc(Br)n1)C(=O)OCC

HCID178471659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1390451286424b7fa757b740d2933486
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

[Br:1][c:2]1[s:3][cH:4][c:5]([C:7](=[O:8])[OH:9])[n:6]1.[CH2:14]([CH3:15])[O:16][C:17]([CH:18]([NH2:19])[CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])=[O:27].[CH2:50]([Cl:51])[Cl:52].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][N:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][n:42]1)[CH3:43].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[S:10]([Cl:11])([Cl:12])=[O:13].[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[Br:1][c:2]1[s:3][cH:4][c:5]([C:7](=[O:9])[NH:19][CH:18]([C:17]([O:16][CH2:14][CH3:15])=[O:27])[CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[n:6]1