HRID165281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID533951

1,2-Dichloro-4-fluoro-5-nitrobenzene

C6H2Cl2FNO2

HCID44607724

[4-(tert-Butoxycarbonyl)piperazin-2-yl]acetic acid

C11H20N2O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])C(CC(=O)O)C1

HCID67249390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aff203221b6b4a8ca1bc1c6c3f647b55
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:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH:22]([CH2:26][C:27](=[O:28])[OH:29])[NH:23][CH2:24][CH2:25]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cl:1][c:2]1[c:3]([Cl:12])[cH:4][c:5]([F:11])[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[OH2:42]>>[Cl:1][c:2]1[c:3]([Cl:12])[cH:4][c:5]([N:23]2[CH:22]([CH2:26][C:27](=[O:28])[OH:29])[CH2:21][N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH2:24]2)[c:6]([N+:8](=[O:9])[O-:10])[cH:7]1