HRID2131513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85570

Tosylate

C7H7O3S-

HCID21937449

未命名化合物

PRODUCTS

生成物

结构：CCNc1cc(NC(C)=O)ccc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1

HCID73855023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b47eaaaf45c54daca5f1cc82d2f5ab60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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