HRID135996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68324

Propanedioic acid, bis(1,1-dimethylethyl) ester

C11H20O4

HCID166653

Hydride

H-

结构：O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1F

HCID22114842

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

HCID22114838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe3ab9117095470bb9e9489ad509c0d8
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

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