HRID2342750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID9994433

TERT-BUTYL 4-(HYDROXYMETHYL)-4-PHENYLPIPERIDINE-1-CARBOXYLATE

C17H25NO3

HCID14866973

1-Bromo-3-(bromomethyl)-5-nitrobenzene

C7H5Br2NO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc([N+](=O)[O-])c2)(c2ccccc2)CC1

HCID58993455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8caffc3d84c64a1792ff195bf5c63294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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