HRID295039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID4103526

tert-Butyl N-(2-bromoethyl)carbamate

C7H14BrNO2

HCID7019103

未命名化合物

PRODUCTS

生成物

结构：CN(CCNC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1

HCID59650730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3b0316260be4569bd738f32cbfc27bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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