HRID1549004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)NCc1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1

HCID69122649

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NCc1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1

HCID16665786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c45b8accccf64b5db7ee0cce60157de8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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[cH:20][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])[CH3:32].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][S:42]([Cl:43])(=[O:44])=[O:45].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[ClH:33].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[NH:7]([CH2:8][c:9]1[cH:10][c:11]([CH2:15][NH:16][C:17](=[O:18])[c:19]2[cH:20][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:42]([CH3:41])(=[O:44])=[O:45]