HRID193849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID86646729

未命名化合物

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(OS(=O)(=O)C(F)(F)F)CCC12)c1nc(N)sc1Cl

HCID151630783

未命名化合物

PRODUCTS

生成物

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(Sc3cccnc3CNC(=O)OC(C)(C)C)CCC12)c1nc(N)sc1Cl

HCID173088795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa199cd75dd34133bfeb7655a749275f
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

[NH2:1][c:2]1[s:3][c:4]([Cl:47])[c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[CH2:13][CH2:14][C:15]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])=[C:16]([C:20](=[O:21])[O:22][CH:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[N:17]3[C:18]2=[O:19])=[N:44][O:45][CH3:46])[n:6]1.[SH:48][c:49]1[c:50]([CH2:55][NH:56][C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63])[n:51][cH:52][cH:53][cH:54]1>>[NH2:1][c:2]1[s:3][c:4]([Cl:47])[c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[CH2:13][CH2:14][C:15]([S:48][c:49]4[c:50]([CH2:55][NH:56][C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63])[n:51][cH:52][cH:53][cH:54]4)=[C:16]([C:20](=[O:21])[O:22][CH:23]([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[N:17]3[C:18]2=[O:19])=[N:44][O:45][CH3:46])[n:6]1