HRID115801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2774010

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

C9H15BN2O2

结构：CCOC(=O)c1cccc(N(C(=O)OC(C)(C)C)c2ncc(Br)n3ncnc23)c1

HCID57590006

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(N(C(=O)OC(C)(C)C)c2ncc(-c3cn[nH]c3)n3ncnc23)c1

HCID135979606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a914fcaf614455ab3cc8b77035f9ac8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[c:19]2[c:20]3[n:21]([c:22]([Br:25])[cH:23][n:24]2)[n:26][cH:27][n:28]3)[cH:8][cH:9][cH:10]1)=[O:29].[CH3:30][C:31]1([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36][B:37]([c:38]2[cH:39][n:40][nH:41][cH:42]2)[O:43]1.[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:56]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[c:19]2[c:20]3[n:21]([c:22](-[c:38]4[cH:39][n:40][nH:41][cH:42]4)[cH:23][n:24]2)[n:26][cH:27][n:28]3)[cH:8][cH:9][cH:10]1)=[O:29]