HRID165648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID87140

O-(2,4-Dinitrophenyl)hydroxylamine

C6H5N3O5

结构：CCc1cc2c(Cl)cc(F)c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c2o1

HCID23289176

未命名化合物

PRODUCTS

生成物

结构：CCc1cc2c(Cl)cc(F)c(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)c2o1

HCID23289165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-982f13824b7047b2838de5d3a001d373
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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