HRID2157749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7474

1-Chloro-4-nitrobenzene

C6H4ClNO2

HCID31374

Dimethylacetamide

C4H9NO

结构：Cc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1

HCID14832325

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

HCID14832327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fcbe40a7f3d4296bbb29b4b3f2929e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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