HRID214354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1176

Urea

CH4N2O

HCID7000

2-Anisidine

C7H9NO

结构：CSc1nc(-c2cccc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

HCID69287458

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1NC(=O)Nc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1

HCID69288655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a32e885c247843b58d0f5508298aac94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:43][O:44][c:45]1[c:46]([NH2:51])[cH:47][cH:48][cH:49][cH:50]1.[NH2:1][C:2](=[O:3])[NH2:4].[NH2:5][c:6]1[c:7]([C:36](=[O:37])[NH:38][C:39]([CH3:40])([CH3:41])[CH3:42])[s:8][c:9]2[n:10][c:11]([S:34][CH3:35])[n:12][c:13](-[c:15]3[cH:16][c:17]([NH:21][C:22](=[O:23])[O:24][c:25]4[cH:26][cH:27][c:28]([N+:29]([O-:30])=[O:31])[cH:32][cH:33]4)[cH:18][cH:19][cH:20]3)[c:14]12>>[NH2:5][c:6]1[c:7]([C:36](=[O:37])[NH:38][C:39]([CH3:40])([CH3:41])[CH3:42])[s:8][c:9]2[n:10][c:11]([S:34][CH3:35])[n:12][c:13](-[c:15]3[cH:16][c:17]([NH:21][C:22](=[O:23])[NH:51][c:46]4[c:45]([O:44][CH3:43])[cH:50][cH:49][cH:48][cH:47]4)[cH:18][cH:19][cH:20]3)[c:14]12