HRID946554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID250673

2-Phenylpiperazine

C10H14N2

结构：CCOC(=O)c1cn(C)c2nc3c(F)c(F)c(F)cc3cc2c1=O

HCID19423688

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C)c2nc3c(F)c(N4CCNC(c5ccccc5)C4)c(F)cc3cc2c1=O

HCID53821323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7237b152f9764648a416973aab9d693b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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