HRID1557389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(CC(Br)C(N)=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

HCID12094663

未命名化合物

HCID178476994

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(SC(C)=O)C(N)=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

HCID12094664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25cb1168f4ba44538cffa4a5fd6db254
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

[Br:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([O:24][CH3:25])[c:8]([C:9](=[O:10])[NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[cH:23]1)[C:26]([NH2:27])=[O:28].[C:34]([CH3:35])(=[S:36])[O-:37].[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[K+:38].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1>>[CH:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([O:24][CH3:25])[c:8]([C:9](=[O:10])[NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[cH:23]1)([C:26]([NH2:27])=[O:28])[S:36][C:34]([CH3:35])=[O:37]