HRID671157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID13405

p-Toluoyl chloride

C8H7ClO

HCID166653

Hydride

H-

反应SMILES：O=C(OCc1ccccc1)C1CCCc2[nH]c3ccccc3c21

HCID21548342

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C(=O)n2c3c(c4ccccc42)C(C(=O)OCc2ccccc2)CCC3)cc1

HCID21548377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d0a5c50cf1a34f66bd0ff55144edc706
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

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