HRID183115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID23925

Iron

HCID552246

Methyl carbonisothiocyanatidate

C3H3NO2S

HCID18949771

未命名化合物

HCID20371162

未命名化合物

结构：COC(=O)NC(=S)Nc1ccc(SC(N)=O)cc1[N+](=O)[O-]

HCID20371172

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(=S)Nc1ccc(SC(N)=O)cc1NC(=S)NC(=O)OC

HCID20371224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f333d6caef24dcfac00f59cd21be2ce
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

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