HRID124876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

3 次

HCID961

Hydroxide

HO-

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

结构：COc1cc2[nH]cc(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c2cc1OC

HCID67147425

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCCl)c2cc1OC

HCID67147402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d245074411d946f9aca6c4221d7a8768
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-:46].[C:3](=[O:4])([O-:5])[O-:6].[CH3:47][CH2:48][CH2:49][CH2:50][N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63].[Cl:42][CH2:43][CH2:44][Cl:45].[Cl:9][c:10]1[c:11]2[c:12]([n:13][cH:14][cH:15]1)[n:16]([S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]1)[c:17](-[c:19]1[cH:20][nH:21][c:22]3[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][c:27]13)[cH:18]2.[K+:2].[K+:7].[K+:8].[OH-:1]>>[Cl:9][c:10]1[c:11]2[c:12]([n:13][cH:14][cH:15]1)[n:16]([S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]1)[c:17](-[c:19]1[cH:20][n:21]([CH2:44][CH2:43][Cl:42])[c:22]3[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][c:27]13)[cH:18]2