HRID693496

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

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6115

Aniline

C6H7N

HCID15413

Methyl tert-butyl ether

C5H12O

HCID16028

Tetrabutylammonium

C16H36N+

HCID33978

Heptafluoro-2-iodopropane

C3F7I

HCID61778

Bisulfate anion

HO4S-

PRODUCTS

生成物

HCID9816666

4-perfluoroisopropylaniline

C9H6F7N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-553b23c296124753ac4c5c38e55558db
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:26](=[O:27])([O-:28])[OH:29].[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:31][O:32][C:33]([CH3:34])([CH3:35])[CH3:36].[I:8][C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[F:18].[NH2:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[Na+:24].[Na+:25].[Na+:30].[OH2:37].[S:19]([O-:20])([O-:21])(=[O:22])=[S:23].[S:38]([O-:39])([OH:40])(=[O:41])=[O:42]>>[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[F:18])[cH:6][cH:7]1