HRID1209538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

反应SMILES：O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

HCID6049

Ethylenediaminetetraacetic acid

C10H16N2O8

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID592570

4'-Chlorobiphenyl-4-carbaldehyde

C13H9ClO

PRODUCTS

产物

HCID616002

4-Biphenylcarboxylic acid, 4'-chloro-

C13H9ClO2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9a46d438250746f5a144bbbaa208671d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:16]([O-:17])(=[O:18])[OH:19].[C:51](#[N:52])[CH3:53].[CH2:21]([N:22]([CH2:23][C:24]([OH:25])=[O:26])[CH2:27][C:28]([OH:29])=[O:30])[CH2:31][N:32]([CH2:33][C:34]([OH:35])=[O:36])[CH2:37][C:38]([OH:39])=[O:40].[CH3:47][C:48]([CH3:49])=[O:50].[CH3:58][OH:59].[CH:60]([Cl:61])([Cl:62])[Cl:63].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15]2)[cH:6][cH:7]1.[Cl:55][CH2:56][Cl:57].[ClH:46].[Na+:20].[Na+:45].[OH2:54].[S:41](=[O:42])([OH:43])[O-:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:17])[cH:14][cH:15]2)[cH:6][cH:7]1