HRID2341763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：CC(C)(C)OC(=O)n1cc(-c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)c3ccccc23)cn1

HCID67436208

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(-c3cn[nH]c3)c3ccccc23)=NO1

HCID46842398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0a579c3676d485b99b46d6720f651d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:14]([O:15][C:16](=[O:17])[n:21]1[n:22][cH:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([C:36]3=[N:37][O:38][C:39]([C:41]([F:42])([F:43])[F:44])([c:45]4[cH:46][c:47]([Cl:52])[cH:48][c:49]([Cl:51])[cH:50]4)[CH2:40]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]23)[cH:25]1)([CH3:18])([CH3:19])[CH3:20].[Cl:55][CH2:56][Cl:57].[F:1][C:2]([F:3])([F:4])[C:5]([O:6][C:7](=[O:8])[C:9]([F:10])([F:11])[F:12])=[O:13].[Na+:54].[OH-:53]>>[nH:21]1[n:22][cH:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([C:36]3=[N:37][O:38][C:39]([C:41]([F:42])([F:43])[F:44])([c:45]4[cH:46][c:47]([Cl:52])[cH:48][c:49]([Cl:51])[cH:50]4)[CH2:40]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]23)[cH:25]1