HRID693827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID1086

Dithionite

O4S2-2

HCID8058

n-Hexane

C6H14

HCID15413

Methyl tert-butyl ether

C5H12O

HCID16028

Tetrabutylammonium

C16H36N+

HCID33978

Heptafluoro-2-iodopropane

C3F7I

HCID61778

Bisulfate anion

HO4S-

HCID19024799

3-(2-Methylpropyl)aniline

C10H15N

PRODUCTS

生成物

结构：CC(C)Cc1cc(N)ccc1C(F)(C(F)(F)F)C(F)(F)F

HCID86619002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1905845596943dcaecf6b11bf94bc57
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

[C:23](=[O:24])([O-:25])[OH:26].[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][c:7]([NH2:8])[cH:9][cH:10][cH:11]1.[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH3:65][O:66][C:67]([CH3:68])([CH3:69])[CH3:70].[F:12][C:13]([C:14]([C:15]([F:16])([F:17])[F:18])([F:19])[I:20])([F:21])[F:22].[Na+:27].[Na+:34].[Na+:35].[OH2:64].[S:28]([S:29]([O-:30])=[O:31])([O-:32])=[O:33].[S:36]([O-:37])([OH:38])(=[O:39])=[O:40]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][c:7]([NH2:8])[cH:9][cH:10][c:11]1[C:14]([C:13]([F:12])([F:21])[F:22])([C:15]([F:16])([F:17])[F:18])[F:19]