HRID1546047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31374

Dimethylacetamide

C4H9NO

HCID14852625

未命名化合物

结构：Cc1nc2nc(C(=O)NO)cc(SCC3=C(C(=O)O)N4C(=O)C(NC(=O)C(=O)c5csc(N)n5)C4SC3)n2n1

HCID178432396

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2nc(C(=O)NO)cc(SCC3=C(C(=O)O)N4C(=O)C(NC(=O)C(=NOC(C)(C)C(=O)NNC(=O)c5ccc(O)c(O)c5)c5csc(N)n5)C4SC3)n2n1

HCID178432395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69fa641d4ff64c968c33db795689bae7
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

[CH3:60][C:61]([N:62]([CH3:63])[CH3:64])=[O:65].[ClH:40].[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[cH:26][c:27]([C:35]([NH:36][OH:37])=[O:38])[n:28][c:29]5[n:30]4[n:31][c:32]([CH3:34])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:39])[n:6]1.[NH2:41][O:42][C:43]([C:44](=[O:45])[NH:46][NH:47][C:48]([c:49]1[cH:50][c:51]([OH:56])[c:52]([OH:55])[cH:53][cH:54]1)=[O:57])([CH3:58])[CH3:59]>>[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[cH:26][c:27]([C:35]([NH:36][OH:37])=[O:38])[n:28][c:29]5[n:30]4[n:31][c:32]([CH3:34])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:41][O:42][C:43]([C:44](=[O:45])[NH:46][NH:47][C:48]([c:49]2[cH:50][c:51]([OH:56])[c:52]([OH:55])[cH:53][cH:54]2)=[O:57])([CH3:58])[CH3:59])[n:6]1