HRID949031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID2151

Ampyrone

C11H13N3O

结构：CC(=O)OCC1OC(N=C=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID312833

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d1bb93aee9845c3a69c035193592a3e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([N:24]=[C:25]=[S:26])[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH3:27][c:28]1[c:29]([NH2:30])[c:31](=[O:32])[n:33](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:40]1[CH3:41].[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([NH:24][C:25](=[S:26])[NH:30][c:29]2[c:28]([CH3:27])[n:40]([CH3:41])[n:33](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:31]2=[O:32])[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]