HRID678843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

2 次

HCID11923

2-Nitrobenzyl alcohol

C7H7NO3

结构：O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID78978

Pentadecafluorooctanoyl chloride

C8ClF15O

PRODUCTS

生成物

结构：O=C(OCc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID15095406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e5ce6d3f6824ac1b51c6850d9b6f603
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

[CH2:45]([N:46]([CH2:47][CH3:48])[CH2:49][CH3:50])[CH3:51].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[ClH:44].[F:1][C:2]([C:3](=[O:4])[Cl:5])([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([F:12])([F:13])[F:14])([F:15])[F:16])([F:17])[F:18])([F:19])[F:20])([F:21])[F:22])([F:23])[F:24])[F:25].[N+:26](=[O:27])([O-:28])[c:29]1[c:30]([CH2:31][OH:32])[cH:33][cH:34][cH:35][cH:36]1.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[F:1][C:2]([C:3](=[O:4])[O:32][CH2:31][c:30]1[c:29]([N+:26](=[O:27])[O-:28])[cH:36][cH:35][cH:34][cH:33]1)([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([F:12])([F:13])[F:14])([F:15])[F:16])([F:17])[F:18])([F:19])[F:20])([F:21])[F:22])([F:23])[F:24])[F:25]