HRID1212282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)c1ccc(Nc2nc(NCc3ccc(O)cc3)nc(OCC(F)(F)F)n2)cc1

HCID58223050

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(Nc2nc(NCc3ccc(OCCBr)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67285070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83a495dca40d47b596e6d333b3d67252
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

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