HRID1230555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

HCID10012710

1,3-Difluoro-5-methoxy-2-nitrobenzene

C7H5F2NO3

PRODUCTS

生成物

结构：COc1cc(F)c([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID59683259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-075c39d26b5541b5b3edbfe98cb4bd84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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