HRID178945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID1415878

未命名化合物

HCID23028600

未命名化合物

PRODUCTS

生成物

结构：Clc1ccc(SC(c2ccncc2)c2nc(Cl)ccc2Cl)cn1

HCID23114777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94a3d3f3d9094eb9ae21b949576f31a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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