HRID816310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85570

Tosylate

C7H7O3S-

结构：CCNc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

HCID20626666

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(C(=O)OC(C)(C)C)cc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1

HCID73855084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1252e6f303142f7848919c13d8a68a7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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