HRID1138393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

4 次

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID17749924

4-{2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl}morpholine

C15H26BN3O3

HCID59484879

[3-(5-Bromopyrimidin-2-yl)phenyl]methanol

C11H9BrN2O

PRODUCTS

生成物

结构：OCc1cccc(-c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)c1

HCID58289705

3-[5-[1-[2-(4-Morpholinyl)ethyl]-1H-pyrazol-4-yl]-2-pyrimidinyl]benzenemethanol

C20H23N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f2d115563db44afa35d377a8686a716
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:12][c:13]1[cH:14][n:15][c:16](-[c:19]2[cH:20][c:21]([CH2:25][OH:26])[cH:22][cH:23][cH:24]2)[n:17][cH:18]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][n:37][n:38]([CH2:40][CH2:41][N:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[cH:39]2)[O:48]1.[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[Cl:49][CH2:50][Cl:51].[K+:10].[K+:11].[K+:9].[OH2:1].[OH2:2].[OH2:3].[OH2:58].[P:4]([O-:5])([O-:6])([O-:7])=[O:8]>>[c:13]1(-[c:35]2[cH:36][n:37][n:38]([CH2:40][CH2:41][N:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[cH:39]2)[cH:14][n:15][c:16](-[c:19]2[cH:20][c:21]([CH2:25][OH:26])[cH:22][cH:23][cH:24]2)[n:17][cH:18]1