HRID123577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(F)c([N+](=O)[O-])cc2F)c1=O

HCID12115509

未命名化合物

HCID18619206

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3cnccc3OCc3ccccc3)c([N+](=O)[O-])cc2F)c1=O

HCID18619259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4e79343f0364ebbb33a3649f5af682d
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

[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][c:11]1[c:12]([OH:17])[cH:13][n:14][cH:15][cH:16]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl-:42].[F:18][c:19]1[c:20]([N+:39](=[O:40])[O-:41])[cH:21][c:22]([F:38])[c:23](-[n:25]2[c:26](=[O:37])[n:27]([CH3:36])[c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][c:30]2=[O:31])[cH:24]1.[H-:1].[NH4+:43].[Na+:2]>>[CH2:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][c:11]1[c:12]([O:17][c:19]2[c:20]([N+:39](=[O:40])[O-:41])[cH:21][c:22]([F:38])[c:23](-[n:25]3[c:26](=[O:37])[n:27]([CH3:36])[c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][c:30]3=[O:31])[cH:24]2)[cH:13][n:14][cH:15][cH:16]1