HRID107216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID17208

Benzyltriethylammonium

C13H22N+

HCID80566

(2,4-Dichlorophenyl)acetonitrile

C8H5Cl2N

HCID96039

N,N-Bis(2-chloroethyl)-p-toluenesulphonamide

C11H15Cl2NO2S

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccc(Cl)cc3Cl)CC2)cc1

HCID13094245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbbe9470c28740b6a13b8fcd580fa610
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

[CH2:37]([N+:38]([CH2:39][CH3:40])([CH2:41][CH3:42])[CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH3:50].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl-:36].[Cl:20][c:21]1[c:22]([CH2:28][C:29]#[N:30])[cH:23][cH:24][c:25]([Cl:27])[cH:26]1.[Cl:3][CH2:4][CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]1)[CH2:17][CH2:18][Cl:19].[Na+:2].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH-:1].[OH2:51]>>[CH2:4]1[CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[CH2:17][CH2:18][C:28]1([c:22]1[c:21]([Cl:20])[cH:26][c:25]([Cl:27])[cH:24][cH:23]1)[C:29]#[N:30]