HRID1234640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID2760487

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

C12H21BN2O2

HCID67075913

未命名化合物

PRODUCTS

生成物

结构：CCCn1cc(-c2cccc(CCOCCC(=O)OC(C)(C)C)c2)cn1

HCID59290411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-069ebe2f5f4e46b9b496f180eb43039d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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