HRID2157486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

HCID59850182

1-Fluoro-5-methyl-2-nitro-4-(trifluoromethyl)benzene

C8H5F4NO2

PRODUCTS

生成物

结构：Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])cc1C(F)(F)F

HCID59850131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f3b376cad144f55b29c2f23db0dd99d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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