HRID799013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21187630

4-Hydroxy-4-(pyridin-2-yl)cyclohexan-1-one

C11H13NO2

结构：NC1CCN(C(=O)C2CC(c3cccc(C(F)(F)F)c3)=NO2)C1

HCID69035109

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CC(c2cccc(C(F)(F)F)c2)=NO1)N1CCC(NC2CCC(O)(c3ccccn3)CC2)C1

HCID57803390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ab16740cacc49abb7bf50cba88847a9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:48]([Cl:49])[Cl:50].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([C:10]2=[N:11][O:12][CH:13]([C:15](=[O:16])[N:17]3[CH2:18][CH:19]([NH2:22])[CH2:20][CH2:21]3)[CH2:14]2)[cH:7][cH:8][cH:9]1)([F:23])[F:24].[Na+:47].[OH-:46].[OH:25][C:26]1([c:33]2[n:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:27][CH2:28][C:29](=[O:32])[CH2:30][CH2:31]1>>[F:2][C:3]([c:4]1[cH:5][c:6]([C:10]2=[N:11][O:12][CH:13]([C:15](=[O:16])[N:17]3[CH2:18][CH:19]([NH:22][CH:29]4[CH2:28][CH2:27][C:26]([OH:25])([c:33]5[n:34][cH:35][cH:36][cH:37][cH:38]5)[CH2:31][CH2:30]4)[CH2:20][CH2:21]3)[CH2:14]2)[cH:7][cH:8][cH:9]1)([F:23])[F:24]