HRID98191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

结构：CCc1nc2cc(NS(C)(=O)=O)c(Cl)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID21875777

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2cc(NC)c(Cl)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

HCID21875811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a8395cc02de441b80b25792255d78ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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