HRID117824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID219740

5-amino-1-methyl-1H-pyrazole-4-carbonitrile

C5H6N4

HCID3280088

未命名化合物

结构：COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2sc(C(F)(F)F)nc12

HCID69689660

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2c(C#N)cnn2C)c2sc(C(F)(F)F)nc12

HCID10134422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ee63ac86e0b4ca7a1c565d5841ae5e2
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

[CH3:10][Si:11]([CH3:12])([CH3:13])[N-:14][Si:15]([CH3:16])([CH3:17])[CH3:18].[N+:20]([c:21]1[cH:22][cH:23][c:24]([O:29][C:30](=[O:25])[c:32]2[cH:33][cH:34][c:35]([O:45][CH3:46])[c:36]3[n:37][c:38]([C:41]([F:42])([F:43])[F:44])[s:39][c:40]23)[cH:26][cH:27]1)([O-:28])=[O:31].[NH2:1][c:2]1[c:3]([C:8]#[N:9])[cH:4][n:5][n:6]1[CH3:7].[Na+:19].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[NH:1]([c:2]1[c:3]([C:8]#[N:9])[cH:4][n:5][n:6]1[CH3:7])[C:30](=[O:29])[c:32]1[cH:33][cH:34][c:35]([O:45][CH3:46])[c:36]2[n:37][c:38]([C:41]([F:42])([F:43])[F:44])[s:39][c:40]12