HRID827608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID686334

4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine

C12H17ClN4O2

HCID57416499

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C12H16BF3N2O2

PRODUCTS

生成物

结构：Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1

HCID16654980

Buparlisib

C18H21F3N6O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af6ec3e9840c4042ae2a2e58429135a8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[F:20][C:21]([c:22]1[cH:23][c:24]([NH2:37])[n:25][cH:26][c:27]1[B:28]1[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]1)([F:38])[F:39].[Na+:50].[Na+:51].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9]([Cl:19])[cH:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:12]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:27]3[c:22]([C:21]([F:20])([F:38])[F:39])[cH:23][c:24]([NH2:37])[n:25][cH:26]3)[cH:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:12]2)[CH2:5][CH2:6]1