HRID182701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

3 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID2724942

未命名化合物

HCID25099193

未命名化合物

PRODUCTS

产物

HCID60139840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-80ab30ffe29f4b65bf6144fb542601ae
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:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[C:49](=[O:50])([O-:51])[O-:52].[CH3:28][C:29]([CH3:30])=[O:31].[CH3:46][C:47]#[N:48].[NH2:1][CH2:2][CH2:3][CH2:4][C:5]1([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[S:6][C:7]([c:15]2[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]2)=[N:8][N:9]1[C:10]([CH:11]([CH3:12])[CH3:13])=[O:14].[Na+:45].[Na+:53].[Na+:54]>>[NH:1]([CH2:2][CH2:3][CH2:4][C:5]1([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[S:6][C:7]([c:15]2[cH:16][c:17]([F:21])[cH:18][cH:19][cH:20]2)=[N:8][N:9]1[C:10]([CH:11]([CH3:12])[CH3:13])=[O:14])[CH:29]([CH3:28])[CH3:30]