HRID686508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID5359

Suprofen

C14H12O3S

HCID8140

1-Bromooctane

C8H17Br

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCCCCCCCOC(=O)C(C)c1ccc(C(=O)c2cccs2)cc1

HCID12232954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3efd0bb586749eca1e331ca052e28bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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