HRID696429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1086

Dithionite

O4S2-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

HCID18461356

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1N

HCID18461430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b78274cd7f7444d8306f1568a6e2fac
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:1](=[O:2])([OH:3])[O-:4].[CH3:14][N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[c:23]1[c:24]([N+:40]([O-:41])=[O:42])[cH:25][cH:26][c:27]([O:29][c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:28]1.[Na+:12].[Na+:13].[Na+:5].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:49].[S:6]([S:7]([O-:8])=[O:9])([O-:10])=[O:11]>>[CH3:14][N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[c:23]1[c:24]([NH2:40])[cH:25][cH:26][c:27]([O:29][c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[cH:28]1