HRID805518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=COS(=O)(=O)c3ccc(C)cc3)CSC12)c1csc(N)n1

HCID53704037

未命名化合物

PRODUCTS

生成物

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C=COS(=O)(=O)c3ccc(C)cc3)CSC12)c1csc(N)n1

HCID53939500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e57071f3d064ebbb37fdf3d05ce5c04
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:56][CH2:57][O:58][CH2:59][CH3:60].[CH:52]([OH:53])=[O:54].[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]([CH:36]=[CH:37][O:38][S:39](=[O:40])(=[O:41])[c:42]4[cH:43][cH:44][c:45]([CH3:46])[cH:47][cH:48]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:49][O:50][CH3:51])[n:6]1.[OH2:55]>>[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]([CH:36]=[CH:37][O:38][S:39](=[O:40])(=[O:41])[c:42]4[cH:43][cH:44][c:45]([CH3:46])[cH:47][cH:48]4)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:49][O:50][CH3:51])[n:6]1