HRID121865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID31374

Dimethylacetamide

C4H9NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID78333

未命名化合物

HCID12918956

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(CC(N)=O)C(=O)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1

HCID178474795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53407c46c9df4a47b42c693793b05799
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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