HRID285967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID66048

4-Piperidinol, 1-methyl-

C6H13NO

HCID46314864

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(Oc2ccc([N+](=O)[O-])c(-c3ccccc3)c2)CC1

HCID68708678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be46e59e5a794d34b66a092e9d334515
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:25].[CH2:26]([N+:27]([CH2:28][CH2:29][CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH3:42].[CH3:17][N:18]1[CH2:19][CH2:20][CH:21]([OH:24])[CH2:22][CH2:23]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[OH2:49]>>[c:2]1([O:24][CH:21]2[CH2:20][CH2:19][N:18]([CH3:17])[CH2:23][CH2:22]2)[cH:3][cH:4][c:5]([N+:14](=[O:15])[O-:16])[c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1