HRID952942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

5 次

HCID962

Water

H2O

HCID1086

Dithionite

O4S2-2

HCID7242

2-Methylaniline

C7H9N

HCID15413

Methyl tert-butyl ether

C5H12O

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate Ion

CO3-2

HCID61778

Bisulfate anion

HO4S-

HCID69579

1,2-Dibromohexafluoropropane

C3Br2F6

PRODUCTS

产物

HCID10449644

4-[1-(Bromo-difluoro-methyl)-1,2,2,2-tetrafluoro-ethyl]-2-methyl-phenylamine

C10H8BrF6N

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-afc34806a220409f95e3d4a4dfe86c06
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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