HRID1241012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3017130

4-Phenyl-4-piperidinecarboxamide

C12H16N2O

结构：CS(=O)(=O)OCCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccc2)C1

HCID15840895

未命名化合物

PRODUCTS

生成物

结构：NC(=O)C1(c2ccccc2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCN(C(=O)c3ccccc3)C2)CC1

HCID44212285

1-[2-[1-Benzoyl-3-(3,4-dichlorophenyl)-3-pyrrolidinyl]ethyl]-4-phenyl-4-piperidinecarboxamide

C31H33Cl2N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fb563b245534f8e8abcb3431d6c1bf3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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