HRID677230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID43501900

未命名化合物

结构：C#Cc1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

HCID86608034

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CO)NS(=O)(=O)c1cccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1

HCID11853033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bf4572c534645bbb385b5b4b52e5f98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:25][c:26]1[cH:27][c:28]([S:32](=[O:33])(=[O:34])[NH:35][C:36]([CH2:37][OH:38])([CH3:39])[CH3:40])[cH:29][cH:30][cH:31]1.[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12]#[CH:13])[F:24]>>[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12]#[C:13][c:26]1[cH:27][c:28]([S:32](=[O:33])(=[O:34])[NH:35][C:36]([CH2:37][OH:38])([CH3:39])[CH3:40])[cH:29][cH:30][cH:31]1)[F:24]