HRID100963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID67479048

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccccc1C#Cc1cccn2nc(Cl)nc12

HCID67478887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e600fd10110d40e7871d82477b93ed2f
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

[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:29][S:30]([Cl:31])(=[O:32])=[O:33].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6]([C:10]#[C:11][c:12]3[c:13]([NH2:18])[cH:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:19]1.[Cl:58][CH2:59][CH2:60][Cl:61].[ClH:34].[F-:35].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6]([C:10]#[C:11][c:12]3[c:13]([NH:18][S:30]([CH3:29])(=[O:32])=[O:33])[cH:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:19]1