HRID90998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15410

Propanesulfonyl chloride, chloro-

C3H6Cl2O2S

HCID81531

Diisopropylethylamine

C8H19N

HCID166653

Hydride

H-

结构：CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(N)c3)cc2C1

HCID46899970

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(N4CCCS4(=O)=O)c3)cc2C1

HCID11575686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-377ed39e71a645028a84b7e53c2bf2b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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