HRID1144397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8058

Hexane

C6H14

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID594319

4-Bromo-3-phenyl-1H-pyrazol-5-amine

C9H8BrN3

HCID21071125

未命名化合物

PRODUCTS

产物

HCID21071042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a556da6fd39a4db6881b0dd3c3232756
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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