HRID289056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID22025617

2-Fluoro-4-(methylsulfanyl)aniline

C7H8FNS

结构：CCOC(=O)c1sc2ccncc2c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID59703908

未命名化合物

PRODUCTS

生成物

HCID59703890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43ce86f95d0740568ff9cd8dbde4fd96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:15][S:16]([C:17]([F:18])([F:19])[C:20]([F:21])([F:22])[C:23]([F:24])([F:25])[C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[s:14]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[F:32][c:33]1[c:34]([NH2:41])[cH:35][cH:36][c:37]([S:39][CH3:40])[cH:38]1.[K+:47].[K+:48].[K+:49].[P:42]([O-:43])([O-:44])([O-:45])=[O:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([NH:41][c:34]2[c:33]([F:32])[cH:38][c:37]([S:39][CH3:40])[cH:36][cH:35]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[s:14]1