HRID90208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID12368

1,6-Dibromohexane

C6H12Br2

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID590869

4-(4-Nitrophenyl)butan-1-ol

C10H13NO3

PRODUCTS

生成物

HCID20071424

1-{4-[(6-Bromohexyl)oxy]butyl}-4-nitrobenzene

C16H24BrNO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fcff41994584c0b8672a11cc3dc8548
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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