HRID959685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID69329

1-(Bromomethyl)-4-chlorobenzene

C7H6BrCl

HCID58460224

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc2c(n1Cc1ccc(Cl)cc1)C(=O)CCC2

HCID58460203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-561c0620dc4a44629a8dcdbfd5f5611c
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-:26].[Br:15][CH2:16][c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1.[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([nH:9]1)[CH2:10][CH2:11][CH2:12][C:13]2=[O:14].[CH3:27][CH2:28][CH2:29][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].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:25].[OH-:24]>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6]([CH2:16][c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[c:7]2[c:8]([n:9]1)[CH2:10][CH2:11][CH2:12][C:13]2=[O:14]