HRID188675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

HCID166653

Hydride

H-

结构：O=C1NC(=O)C2(N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc12

HCID13564624

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCN1C(=O)NC2(C1=O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc12

HCID16720659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2670faf98264f128c825523825d05fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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