HRID692252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14041

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

C9H15NO5

HCID166653

Hydride

H-

HCID9861007

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCc1ccc(CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC)cc1

HCID9845753

Diethyl acetamido[2-(4-octylphenyl)ethyl]propanedioate

C25H39NO5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-503e9880bda44c5f80faa5afd2421280
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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