HRID289337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID519181

4-Bromo-1,3,5-trimethyl-1H-pyrazole

C6H9BrN2

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID67019752

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(C)c1-c1ccc(C(C)N2CCC(CC(C)(C)O)(c3ccccc3)OC2=O)cc1

HCID75236517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c03bbfbe14f44e848c02441b01f8251b
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

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