HRID306812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID11586699

4-(2,6-Dichloropyrimidin-4-yl)morpholine

C8H9Cl2N3O

结构：COc1cc(NC(=O)OC(C)(C)C)cc2[nH]c(C(F)F)nc12

HCID66698048

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)OC(C)(C)C)cc2c1nc(C(F)F)n2-c1nc(Cl)cc(N2CCOCC2)n1

HCID86649785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-725a164aaeba468795310ef20f4db934
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:23][c:24]1[n:25][c:26]([Cl:36])[cH:27][c:28]([N:30]2[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[n:29]1.[Cl:43][CH2:44][Cl:45].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([nH:7]1)[cH:8][c:9]([NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[cH:10][c:11]2[O:12][CH3:13])[F:22].[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57]>>[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:24]1[n:25][c:26]([Cl:36])[cH:27][c:28]([N:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[n:29]1)[cH:8][c:9]([NH:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[cH:10][c:11]2[O:12][CH3:13])[F:22]