HRID669089

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

HCID69691

4-Chloro-2-fluoro-1-nitrobenzene

C6H3ClFNO2

HCID11687740

tert-Butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate

C15H22N2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3cc(Cl)ccc3[N+](=O)[O-])cc2)CC1

HCID17815432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87fc68c2f9fd436c83470d04bfb10b52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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