HRID141873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)NCc1cccc(CNC(=O)OC(C)(C)C)c1

HCID69123142

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)NCc1cccc(CNS(C)(=O)=O)c1

HCID16665782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec8a8e14b5a642aa9bafb52d03f4311e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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