HRID700621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID31738

4-Benzylpiperidine

C12H17N

结构：O=[N+]([O-])c1cc(OCCBr)ccc1OCc1ccccc1

HCID23294404

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1

HCID23294452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5c6c123bf844f4e9d22f195965d6e40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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