HRID189528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID21702

((2-Chloroethyl)thio)benzene

C8H9ClS

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID66790

N-(1,3-Diethoxy-1,3-dioxopropan-2-yl)benzenecarboximidic acid

C14H17NO5

PRODUCTS

生成物

结构：CCOC(=O)C(CCSc1ccccc1)(NC(=O)c1ccccc1)C(=O)OCC

HCID18381758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-481121547ee34b78b1e378760e0f4766
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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