HRID1140276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1110

Butanedioic acid

C4H6O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID227254

3-Chloro-6-methylpyridazine

C5H5ClN2

HCID14989200

Ethyl 4-[2-(4-piperidinyl)ethoxy]benzoate

C16H23NO3

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1

HCID71345

Ethyl 4-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}benzoate

C21H27N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20c41d051f0d4e7fa757ce9d7c57f727
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

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