HRID2313602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8056

1,4-Dibromobutane

C4H8Br2

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID69638705

未命名化合物

PRODUCTS

生成物

结构：CN(CC1CCC(COCCCCBr)CC1)C(=O)Oc1ccc(Cl)cc1

HCID69638504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc7320135c80433985ed3d3297a89cfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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