HRID192277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8817

2-Methyl-5-vinylpyridine

C8H9N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：Cc1ccc2[nH]c3c(c2c1)CN(c1ccc([N+](=O)[O-])cc1)CC3

HCID68757485

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(c2ccc([N+](=O)[O-])cc2)C1

HCID57876040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93675802506444f4bec41da8a9d2b6cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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