HRID1543671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85570

Tosylate

C7H7O3S-

HCID21937597

N-Ethyl-3-nitropyridin-4-amine

C7H9N3O2

PRODUCTS

生成物

结构：CCNc1ccncc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1

HCID73855033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79b1cbfcfc064dff860331b7998cb626
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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