HRID92491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

结构：FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(CBr)c(Br)c2)=NO1

HCID86643371

未命名化合物

HCID135837103

1-Methyl-1,2-dihydro-5H-tetrazol-5-one

C2H4N4O

PRODUCTS

生成物

结构：Cn1nnn(Cc2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2Br)c1=O

HCID86643378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07c69d7a635b4ddb9b1632c80ec7f16c
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

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