HRID1539220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID6605254

4-[[[(2-Methylphenyl)amino]carbonyl]amino]benzeneacetic acid

C16H16N2O3

HCID18682369

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(C)N1CCN(C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)C(CC(C)C)C1=O

HCID18682370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97cda193f56d4274b08be42c9e90295c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:31][O:32][C:33]([CH2:34][CH:35]([CH3:36])[N:37]1[C:38](=[O:47])[CH:39]([CH2:43][CH:44]([CH3:45])[CH3:46])[NH:40][CH2:41][CH2:42]1)=[O:48].[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54].[c:1]1([CH3:21])[c:2]([NH:7][C:8]([NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:18])[OH:19])[cH:14][cH:15]2)=[O:20])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH3:21])[c:2]([NH:7][C:8]([NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:19])[N:40]3[CH:39]([CH2:43][CH:44]([CH3:45])[CH3:46])[C:38](=[O:47])[N:37]([CH:35]([CH2:34][C:33]([O:32][CH3:31])=[O:48])[CH3:36])[CH2:42][CH2:41]3)[cH:14][cH:15]2)=[O:20])[cH:3][cH:4][cH:5][cH:6]1