HRID138399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID2903

Cyclooctanamine

C8H17N

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

HCID11424492

4-dimethylamino-4-phenylcyclohexanone

C14H19NO

PRODUCTS

生成物

HCID9901994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44a472f6816a48cfa7a3fdc11c46d897
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:10][N:11]([C:12]1([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:13][CH2:14][C:15](=[O:18])[CH2:16][CH2:17]1)[CH3:25].[CH3:49][C:50](=[O:51])[OH:52].[CH:1]1([NH2:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Cl:26][CH2:27][CH2:28][Cl:29].[Na+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[CH:1]1([NH:9][CH:15]2[CH2:14][CH2:13][C:12]([N:11]([CH3:10])[CH3:25])([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:17][CH2:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1