HRID211747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID19660

Carbonate

CO3-2

HCID2773912

2-Chloro-4-(trifluoromethyl)pyrimidine

C5H2ClF3N2

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)N4CCC5(CCNCC5)C4)cc3)oc12

HCID68745601

2-[4-(2,8-Diazaspiro[4.5]dec-2-ylcarbonyl)phenyl]-7-isopropyl-1,3-benzoxazole-5-carbonitrile

C26H28N4O2

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)N4CCC5(CCN(c6nccc(C(F)(F)F)n6)CC5)C4)cc3)oc12

HCID25172674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b61557d769d64bd19b48e30d65af56af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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