HRID85824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID736817

1-Boc-4-(aminomethyl)piperidine

C11H22N2O2

结构：O=[N+]([O-])c1cnc2cc(-c3ccccc3)ccc2c1Cl

HCID21984335

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CNc2c([N+](=O)[O-])cnc3cc(-c4ccccc4)ccc23)CC1

HCID21984230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3db454935bce4b1ba2db73126e234789
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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