HRID1229089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID57416439

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

C11H15BF3N3O2

结构：CN1CCC(N(C)Cc2cc3c(N4CCOCC4)nc(Cl)nc3s2)CC1

HCID86623517

N-((2-chloro-4-morpholinothieno[2,3-d]pyrimidin-6-yl)methyl)-N,1-dimethylpiperidin-4-amine

C18H26ClN5OS

PRODUCTS

生成物

结构：CN1CCC(N(C)Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4C(F)(F)F)nc3s2)CC1

HCID58233854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92485f2b013b458a8c74f9bba0cdcd91
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

[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][C:34]1([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39][B:40]([c:41]2[c:42]([C:48]([F:49])([F:50])[F:51])[n:43][c:44]([NH2:47])[n:45][cH:46]2)[O:52]1.[CH3:53][C:54]#[N:55].[Cl:1][c:2]1[n:3][c:4]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([CH2:11][N:12]([CH:13]1[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]1)[CH3:20])[cH:10]2.[Na+:31].[Na+:32].[OH2:56]>>[c:2]1(-[c:41]2[c:42]([C:48]([F:49])([F:50])[F:51])[n:43][c:44]([NH2:47])[n:45][cH:46]2)[n:3][c:4]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[c:5]2[c:6]([n:7]1)[s:8][c:9]([CH2:11][N:12]([CH:13]1[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]1)[CH3:20])[cH:10]2