HRID145983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

结构：NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl

HCID178514690

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCn1nnnc1-c1cc(S(N)(=O)=O)c(Cl)cc1NCc1cccs1

HCID60208421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba2de579bd35473b8703df34b2ba4c04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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