HRID203651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

3 次

HCID946

Nitrite ion

NO2-

HCID962

Water

H2O

HCID1086

Dithionite

O4S2-2

HCID24614

Phosphorus tribromide

Br3P

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

HCID20302332

4-(4-Bromobutan-2-yl)-4'-fluoro-1,1'-biphenyl

C16H16BrF

HCID20302449

未命名化合物

结构：CC(CC[N+](=O)[O-])c1ccc(-c2ccc(F)cc2)cc1

HCID20302766

4-Fluoro-4'-(4-nitrobutan-2-yl)-1,1'-biphenyl

C16H16FNO2

PRODUCTS

生成物

HCID20302108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-556358571d97499db165c8e25f930b35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Al+3:49].[Br:58][CH2:59][CH2:60][CH:61]([c:62]1[cH:63][cH:64][c:65](-[c:66]2[cH:67][cH:68][c:69]([F:70])[cH:71][cH:72]2)[cH:73][cH:74]1)[CH3:75].[CH3:81][CH2:82][OH:83].[F:29][c:30]1[cH:31][cH:32][c:33](-[c:34]2[cH:35][cH:36][c:37]([CH:38]([CH3:39])[CH2:40][C:41]([OH:42])=[O:43])[cH:44][cH:45]2)[cH:46][cH:47]1.[H-:48].[H-:51].[H-:52].[H-:53].[Li+:50].[N+:9]([O-:10])(=[O:11])[CH2:12][CH2:13][CH:14]([CH3:15])[c:16]1[cH:17][cH:18][c:19](-[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:20][cH:21]1.[N:76]([O-:77])=[O:78].[Na+:79].[Na+:7].[Na+:8].[OH2:80].[P:54]([Br:55])([Br:56])[Br:57].[S:1]([S:2]([O-:3])=[O:4])([O-:5])=[O:6]>>[NH2:9][CH2:12][CH2:13][CH:14]([CH3:15])[c:16]1[cH:17][cH:18][c:19](-[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:20][cH:21]1