HRID946414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID639726

3,4-Dichlorobenzyl bromide

C7H5BrCl2

HCID58460222

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2c(n1Cc1ccc(Cl)c(Cl)c1)C(=O)CCCC2

HCID58460157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a37afea38ff46c9b71d2b728b7fbb04
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-:34].[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([nH:8]1)[CH2:9][CH2:10][CH2:11][CH2:12][C:13]2=[O:14].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:35][CH2:36][CH2:37][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].[Cl-:32].[Cl:15][c:16]1[cH:17][c:18]([CH2:19][Br:20])[cH:21][cH:22][c:23]1[Cl:24].[NH4+:33].[Na+:53].[OH-:52]>>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5]([CH2:19][c:18]2[cH:17][c:16]([Cl:15])[c:23]([Cl:24])[cH:22][cH:21]2)[c:6]2[c:7]([n:8]1)[CH2:9][CH2:10][CH2:11][CH2:12][C:13]2=[O:14]