HRID171417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6420

Trichloroacetyl chloride

C2Cl4O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)N1C(=O)C=C(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)C(N)=O)cc2)S1(=O)=O

HCID178448678

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1C(=O)C=C(c2ccc(CC(C#N)NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)S1(=O)=O

HCID69597741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9523c72d061042b38eb4763f51ee3aba
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]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:36])(=[O:37])[C:7]([c:11]2[cH:12][cH:13][c:14]([CH2:17][CH:18]([C:19](=[O:20])[NH2:21])[NH:22][S:23](=[O:24])(=[O:25])[c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)[cH:15][cH:16]2)=[CH:8][C:9]1=[O:10].[CH2:52]([Cl:53])[Cl:54].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:45][C:46]([Cl:47])([Cl:48])[C:49]([Cl:50])=[O:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:36])(=[O:37])[C:7]([c:11]2[cH:12][cH:13][c:14]([CH2:17][CH:18]([C:19]#[N:21])[NH:22][S:23](=[O:24])(=[O:25])[c:26]3[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]3)[cH:15][cH:16]2)=[CH:8][C:9]1=[O:10]