HRID679166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID11322471

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C14H18BNO2

结构：N#Cc1cc(Br)cc2c1cnn2S(=O)(=O)c1ccccc1

HCID66692156

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(-c2cccc3[nH]ccc23)cc2c1cnn2S(=O)(=O)c1ccccc1

HCID66694006

6-(1H-Indol-4-yl)-1-(phenylsulfonyl)-1H-indazole-4-carbonitrile

C22H14N4O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c43494f8092b443783853fd682213af8
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:1][c:2]1[cH:3][c:4]([C:20]#[N:21])[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1.[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:22][C:23]1([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28][B:29]([c:30]2[c:31]3[cH:32][cH:33][nH:34][c:35]3[cH:36][cH:37][cH:38]2)[O:39]1.[OH2:46]>>[c:2]1(-[c:30]2[c:31]3[cH:32][cH:33][nH:34][c:35]3[cH:36][cH:37][cH:38]2)[cH:3][c:4]([C:20]#[N:21])[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1