HRID180153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10197934

1-(2-Pyridinyl)-4-piperidinamine

C10H15N3

结构：CC(C)(C)N1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O

HCID67242627

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1C(=O)C(NC2CCN(c3ccccn3)CC2)=C(c2ccccc2)S1(=O)=O

HCID67241091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdc6087335cb4c88bc282642ab8d8e17
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[ClH:20].[ClH:21].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[n:22]1[c:23]([N:28]2[CH2:29][CH2:30][CH:31]([NH2:34])[CH2:32][CH2:33]2)[cH:24][cH:25][cH:26][cH:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:34][CH:31]2[CH2:30][CH2:29][N:28]([c:23]3[n:22][cH:27][cH:26][cH:25][cH:24]3)[CH2:33][CH2:32]2)[C:9]1=[O:10]