HRID2333130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14041

Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester

C9H15NO5

HCID31275

1,4-Dioxane

C4H8O2

HCID136770

N-(5-Bromopentyl)phthalimide

C13H14BrNO2

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCOC(=O)C(CCCCCN1C(=O)c2ccccc2C1=O)(NC(C)=O)C(=O)OCC

HCID12531046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41a80848da82448db61cf155e1df70fe
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:18]1(=[O:34])[c:19]2[c:20]([cH:30][cH:31][cH:32][cH:33]2)[C:21](=[O:29])[N:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][Br:28].[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[C:11](=[O:12])[O:13][CH2:14][CH3:15].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[ClH:35].[H-:16].[Na+:17].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([C:11](=[O:12])[O:13][CH2:14][CH3:15])[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][N:22]1[C:18](=[O:34])[c:19]2[c:20]([cH:30][cH:31][cH:32][cH:33]2)[C:21]1=[O:29]