HRID105022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7764

Ethyl cyanoacetate

C5H7NO2

HCID166653

Hydride

H-

结构：O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1

HCID21948157

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C#N)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1

HCID21948193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90205b08a465438e8b7c70880eda0428
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

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