HRID295267

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

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：CC(=O)Nc1cc(Cl)nc2c1nnn2Cc1ccc2ncccc2c1

HCID86671446

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(-c2cnn(C)c2)nc2c1nnn2Cc1ccc2ncccc2c1

HCID68289274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81d26d5457c347999ac41c08fe8ba055
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[CH3:26][n:27]1[n:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1.[Cl:1][c:2]1[cH:3][c:4]([NH:22][C:23]([CH3:24])=[O:25])[c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][c:14]3[cH:15][cH:16][cH:17][n:18][c:19]3[cH:20][cH:21]1)[n:9][n:10]2.[Na+:45].[Na+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:53]>>[c:2]1(-[c:30]2[cH:29][n:28][n:27]([CH3:26])[cH:31]2)[cH:3][c:4]([NH:22][C:23]([CH3:24])=[O:25])[c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][c:14]3[cH:15][cH:16][cH:17][n:18][c:19]3[cH:20][cH:21]1)[n:9][n:10]2