HRID698471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70849

Etidin

C13H19NO4

HCID1201546

Rhodanine

C3H3NOS2

结构：C=S1C(=S)NC(=O)C1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID88198709

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(CC2SC(=S)NC2=O)cc(C(C)(C)C)c1O

HCID9968356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6b9bc1524bb4ae490358a2be522c6f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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