HRID294047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID998

Phenylacetaldehyde

C8H8O

HCID6380

Tetramethylammonium ion(1+)

C4H12N+

HCID2724942

未命名化合物

HCID10442595

Ethyl 3-(4-aminophenyl)propanoate

C11H15NO2

PRODUCTS

生成物

HCID59859872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc60aca879f4150893bd38fc51d677d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH2:19]([CH3:20])[O:21][C:22]([CH2:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]1)=[O:32].[CH3:14][N+:15]([CH3:16])([CH3:17])[CH3:18].[CH:33](=[O:34])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:44][CH2:45][CH2:46][Cl:47].[NH4+:42].[OH-:43].[OH2:48]>>[CH2:19]([CH3:20])[O:21][C:22]([CH2:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([NH:31][CH2:33][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:29][cH:30]1)=[O:32]