HRID2314315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID21878410

未命名化合物

结构：CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)CC1N

HCID68817248

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)CC1NC(=O)OCc1ccccc1

HCID77513458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-151ee827bf6a44e9bf3068e5510b1867
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

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