HRID2327277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID70048

Norcyclizine

C17H20N2

HCID20506352

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID13105607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f8b4b12ba1b4256a5e80a3a3c269831
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

[CH3:47][CH:48]([CH3:49])[CH2:50][C:51](=[O:52])[CH3:53].[Cl:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[c:7]([N+:16](=[O:17])[O-:18])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1.[I-:45].[K+:44].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:46].[c:19]1([CH:25]([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH2:2]([CH2:3][CH2:4][NH:5][c:6]1[c:7]([N+:16](=[O:17])[O-:18])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1)[N:29]1[CH2:28][CH2:27][N:26]([CH:25]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:31][CH2:30]1