HRID2134369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

3 次

HCID1061

Phosphate

O4P-3

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-eb14a0bbbef74fb8a90a215e51016974
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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