HRID188826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID3866161

3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H18BNO3

HCID58255750

未命名化合物

PRODUCTS

生成物

结构：COc1cncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)c1

HCID44540129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14816cd6a76d45b6b962afe8cdec0f43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([NH:11][C:12](=[O:13])[c:14]2[n:15][c:16]([CH3:19])[s:17][cH:18]2)[c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10]1.[CH2:26]1[O:27][CH2:28][CH2:29][O:30][CH2:31]1.[CH3:32][O:33][c:34]1[cH:35][n:36][cH:37][c:38]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:39]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[OH2:49]>>[c:2]1(-[c:38]2[cH:37][n:36][cH:35][c:34]([O:33][CH3:32])[cH:39]2)[cH:3][c:4]([NH:11][C:12](=[O:13])[c:14]2[n:15][c:16]([CH3:19])[s:17][cH:18]2)[c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10]1