HRID186964

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

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID1117

Sulfate

O4S-2

HCID8028

Tetrahydrofuran

C4H8O

HCID89366

未命名化合物

HCID11424492

4-dimethylamino-4-phenylcyclohexanone

C14H19NO

PRODUCTS

生成物

结构：CN(C)C1(c2ccccc2)CCC(NC(Cc2c[nH]c3ccccc23)C(N)=O)CC1

HCID44224244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eff685159fa456b91b78ca8fdc8ba55
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

[CH3:22][N:23]([C:24]1([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:25][CH2:26][C:27](=[O:30])[CH2:28][CH2:29]1)[CH3:37].[CH3:38][C:39](=[O:40])[OH:41].[Cl:54][CH2:55][CH2:56][Cl:57].[ClH:1].[NH2:2][CH:3]([CH2:4][c:5]1[cH:6][nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[C:14]([NH2:15])=[O:16].[Na+:21].[Na+:42].[Na+:43].[O-:17][C:18]([OH:19])=[O:20].[O-:44][S:45]([O-:46])(=[O:47])=[O:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[NH:2]([CH:3]([CH2:4][c:5]1[cH:6][nH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[C:14]([NH2:15])=[O:16])[CH:27]1[CH2:26][CH2:25][C:24]([N:23]([CH3:22])[CH3:37])([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:29][CH2:28]1