HRID108183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1086

Dithionite

O4S2-2

HCID6115

Aniline

C6H7N

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc([N+](=O)[O-])cc1

HCID69042860

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc(N)cc1

HCID69043109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39c524e59ba547ef8b782c4f5d6f06ae
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

[CH2:30]1[O:31][CH2:32][CH2:33][O:34][CH2:35]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:17](=[O:18])[NH:19][c:20]2[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]2)[cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([N+:14]([O-:15])=[O:16])[cH:12][cH:13]1.[NH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[NH4+:37].[Na+:45].[Na+:46].[OH-:38].[OH2:36].[S:39]([S:40]([O-:41])=[O:42])([O-:43])=[O:44]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:17](=[O:18])[NH:19][c:20]2[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]2)[cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([NH2:14])[cH:12][cH:13]1