HRID188331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID68023

4-Fluorobenzaldehyde

C7H5FO

HCID66631492

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(CNC2CCOC(C(c3ccccc3)c3ccccc3)C2)cc1

HCID58657599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b746c35c02f483cb2af421f873d7882
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

[CH3:30][C:31](=[O:32])[OH:33].[CH3:43][OH:44].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]1[O:15][CH2:16][CH2:17][CH:18]([NH2:20])[CH2:19]1.[Cl:39][CH2:40][CH2:41][Cl:42].[F:21][c:22]1[cH:23][cH:24][c:25]([CH:26]=[O:27])[cH:28][cH:29]1.[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[OH2:45]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]1[O:15][CH2:16][CH2:17][CH:18]([NH:20][CH2:26][c:25]2[cH:24][cH:23][c:22]([F:21])[cH:29][cH:28]2)[CH2:19]1