HRID1219423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2ncc([N+](=O)[O-])cc2C)c1

HCID145857668

未命名化合物

PRODUCTS

生成物

结构：CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ncc([N+](=O)[O-])cc2C)c1

HCID21886607

4-[3-(3-Methyl-5-nitro-2-pyridinyl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide

C18H16N4O4S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ce7ed35b55d4f678392de3496aa9aaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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