HRID697398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID78308

Pyridine, 2-chloro-5-nitro-

C5H3ClN2O2

结构：CC(C)(C#N)c1cccc(C(=O)Nc2ccc(C(F)(F)F)c(O)c2)c1

HCID68418501

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)c1cccc(C(=O)Nc2ccc(C(F)(F)F)c(Oc3ccc([N+](=O)[O-])cn3)c2)c1

HCID68418528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-522c8b03655f418295504eb295ca634a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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