HRID2314091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID61981015

未命名化合物

结构：CS(=O)(=O)Nc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1

HCID69099975

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N(C)C2CCN(CC(=O)Nc3ccc(NS(C)(=O)=O)cc3)CC2)cc1

HCID69101010

4-[Methyl(4-methylphenyl)amino]-N-[4-[(methylsulfonyl)amino]phenyl]-1-piperidineacetamide

C22H30N4O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d508e37d3234fb7b06278da39ec4c6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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