HRID1547402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67000972

5-Bromo-N-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-3-pyridinesulfonamide

C9H13BrN2O4S

结构：C#Cc1cnn2c(C3CC3)cc(-c3ccc(C(F)(F)F)cc3)nc12

HCID86608049

未命名化合物

PRODUCTS

生成物

结构：CC(CO)(CO)NS(=O)(=O)c1cncc(C#Cc2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1

HCID67001093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-507e1c32023a4e12b899e227b91ca83f
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

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