HRID149037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID70225

Butanoyl chloride, 4-bromo-

C4H6BrClO

结构：CCC(=O)N1N=C(N)SC1(CCNS(C)(=O)=O)c1ccccc1

HCID67039362

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)N1N=C(N2CCCC2=O)SC1(CCNS(C)(=O)=O)c1ccccc1

HCID11858425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7ccefec967049fd9e1d29660524e39f
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

[Br:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[Cl:36].[CH3:38][C:39](=[O:40])[O-:41].[CH3:47][S:48]([CH3:49])=[O:50].[Cl:43][CH2:44][Cl:45].[ClH:42].[NH2:1][C:2]1=[N:3][N:4]([C:20]([CH2:21][CH3:22])=[O:23])[C:5]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)([CH2:13][CH2:14][NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[S:6]1.[Na+:37].[OH2:46].[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[N:1]1([C:2]2=[N:3][N:4]([C:20]([CH2:21][CH3:22])=[O:23])[C:5]([c:7]3[cH:8][cH:9][cH:10][cH:11][cH:12]3)([CH2:13][CH2:14][NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[S:6]2)[CH2:31][CH2:32][CH2:33][C:34]1=[O:35]