HRID624069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(S(=O)(=O)OCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)cc1

HCID86704220

未命名化合物

结构：Cc1cccc(-c2ocnc2C(=O)Nc2c(C)nn(CCO)c2C)c1

HCID86704221

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCCn2nc(C)c(NC(=O)c3ncoc3-c3cccc(C)c3)c2C)cc1

HCID86704222

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized according to above mentioned procedure for 2-(4-(5-(m-tolyl)oxazole-4-carboxamido)-1H-pyrazol-1-yl)ethyl-4-methylbenzenesulfonate, starting from N-(1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl)-5-(m-tolyl)oxazole-4-carboxamide. LC-MS conditions A: tR=0.93 min, [M+H]+=467.46.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4593605830194cc4b535ca9c317226fa
来源数据集: uspto-grants-2016_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09303023B2
来源说明: uspto-grants-2016_04

反应 SMILES

C1(C)C=CC=C(C2OC=NC=2C(NC2C=NN(CC[O:22][S:23]([C:26]3[CH:31]=[CH:30][C:29]([CH3:32])=[CH:28][CH:27]=3)(=O)=[O:24])C=2)=O)C=1.[OH:34][CH2:35][CH2:36][N:37]1[C:41]([CH3:42])=[C:40]([NH:43][C:44]([C:46]2[N:47]=[CH:48][O:49][C:50]=2[C:51]2[CH:52]=[C:53]([CH3:57])[CH:54]=[CH:55][CH:56]=2)=[O:45])[C:39]([CH3:58])=[N:38]1>>[CH3:32][C:29]1[CH:30]=[CH:31][C:26]([S:23]([O:34][CH2:35][CH2:36][N:37]2[C:41]([CH3:42])=[C:40]([NH:43][C:44]([C:46]3[N:47]=[CH:48][O:49][C:50]=3[C:51]3[CH:52]=[C:53]([CH3:57])[CH:54]=[CH:55][CH:56]=3)=[O:45])[C:39]([CH3:58])=[N:38]2)(=[O:24])=[O:22])=[CH:27][CH:28]=1