HRID145384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9864

Cyanamide

CH2N2

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：CNC(=S)C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21

HCID10403350

未命名化合物

PRODUCTS

生成物

结构：CN=C(NC#N)C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21

HCID19037066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41e29a73e7014fceb338370978747029
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:23][c:24]1[cH:25][cH:26][cH:27][cH:28][n+:29]1[CH3:30].[F:1][CH2:2][C:3]1([CH2:20][F:21])[O:4][c:5]2[c:6]([cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[C:7]([C:9]([NH:10][CH3:11])=[S:12])=[CH:8]1.[H-:34].[I-:22].[NH2:31][C:32]#[N:33].[Na+:35].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:36]>>[F:1][CH2:2][C:3]1([CH2:20][F:21])[O:4][c:5]2[c:6]([cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[C:7]([C:9](=[N:10][CH3:11])[NH:31][C:32]#[N:33])=[CH:8]1