HRID101363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID79506

4-Ethylcyclohexanone

C8H14O

HCID415628

1-(2-Chlorophenyl)piperazine

C10H13ClN2

HCID2724942

未命名化合物

PRODUCTS

生成物

HCID57758444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-176f799653ee45fa84581e6957545c0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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