HRID288020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID81293

4-Aminocyclohexanol

C6H13NO

结构：CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1ncc([N+](=O)[O-])c(SC#N)n1

HCID59704889

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(F)cc1Nc1ncc([N+](=O)[O-])c(NC2CCC(O)CC2)n1

HCID59846320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b06f5a433eaa462b8c911eb608dd4cd4
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

[C:1](=[O:2])([O-:3])[O-:4].[CH3:43][C:44]#[N:45].[Cl:46][CH2:47][Cl:48].[F:7][c:8]1[cH:9][c:10]([NH:22][c:23]2[n:24][cH:25][c:26]([N+:32](=[O:33])[O-:34])[c:27]([S:29][C:30]#[N:31])[n:28]2)[c:11]([NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[cH:12][cH:13]1.[K+:5].[K+:6].[OH:35][CH:36]1[CH2:37][CH2:38][CH:39]([NH2:42])[CH2:40][CH2:41]1>>[F:7][c:8]1[cH:9][c:10]([NH:22][c:23]2[n:24][cH:25][c:26]([N+:32](=[O:33])[O-:34])[c:27]([NH:42][CH:39]3[CH2:38][CH2:37][CH:36]([OH:35])[CH2:41][CH2:40]3)[n:28]2)[c:11]([NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[cH:12][cH:13]1