HRID1150392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID101235

Propanamide, 2-bromo-2-methyl-

C4H8BrNO

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)C2CCCCC2)cc1

HCID53778489

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2C(=O)C2CCCCC2)cc1

HCID54361654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04430007939645d38b53cf4ef02f0a7b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:29][C:30]([CH3:31])([Br:32])[C:33]([NH2:34])=[O:35].[CH:1]1([C:7](=[O:8])[c:9]2[c:10]([NH:16][S:17](=[O:18])(=[O:19])[c:20]3[cH:21][cH:22][c:23]([CH3:24])[cH:25][cH:26]3)[cH:11][cH:12][c:13]([Cl:15])[cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[H-:27].[Na+:28].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36]>>[CH:1]1([C:7](=[O:8])[c:9]2[c:10]([N:16]([S:17](=[O:18])(=[O:19])[c:20]3[cH:21][cH:22][c:23]([CH3:24])[cH:25][cH:26]3)[CH2:29][C:38](=[O:37])[N:39]([CH3:40])[CH3:41])[cH:11][cH:12][c:13]([Cl:15])[cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1