HRID1151831

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID4184869

tert-Butyl 4-[(methanesulfonyl)oxy]piperidine-1-carboxylate

C11H21NO5S

结构：COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1O

HCID54724062

Methyl 1-(3,4-dichlorophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylate

C12H8Cl2N2O4

PRODUCTS

生成物

结构：COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

HCID44621627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de749ecb4c3a45a78b2345291eae83a6
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

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