HRID206355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31374

Dimethylacetamide

C4H9NO

HCID19917838

未命名化合物

结构：Nc1nc(C(=O)C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nc(-c5ccccc5)ncc4-c4ccc(O)c(O)c4)CSC23)cs1

HCID178508536

未命名化合物

PRODUCTS

生成物

结构：CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(-c4ccccc4)ncc3-c3ccc(O)c(O)c3)CSC12)c1csc(N)n1)C(=O)NO

HCID178460201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3f66fc50b9841e0b042933eb0bbc536
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

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