HRID167236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

HCID5018790

4-[2-(trifluoromethyl)phenoxy]piperidine

C12H14F3NO

HCID12379801

Methyl 6-chloropyridazine-3-carboxylate

C6H5ClN2O2

PRODUCTS

生成物

结构：COC(=O)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1

HCID68505610

Methyl 6-[4-[2-(trifluoromethyl)phenoxy]-1-piperidinyl]-3-pyridazinecarboxylate

C18H18F3N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b08cc55ba04e46e78b5cf0aca04e9003
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[O:10][CH3:11])[n:6][n:7]1.[F:12][C:13]([c:14]1[c:15]([O:16][CH:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)[cH:23][cH:24][cH:25][cH:26]1)([F:27])[F:28].[I-:35].[K+:33].[K+:34].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[c:2]1([N:20]2[CH2:19][CH2:18][CH:17]([O:16][c:15]3[c:14]([C:13]([F:12])([F:27])[F:28])[cH:26][cH:25][cH:24][cH:23]3)[CH2:22][CH2:21]2)[cH:3][cH:4][c:5]([C:8](=[O:9])[O:10][CH3:11])[n:6][n:7]1