HRID95524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10906

tert-Butyl nitrite

C4H9NO2

结构：Nc1nc2c(s1)c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2Cc1ccccc1

HCID135457553

未命名化合物

PRODUCTS

生成物

结构：O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2scnc2n1Cc1ccccc1

HCID135543772

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dfe70fbf3e04a9db06db166ead8b822
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

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