HRID290438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12038

4-Hydroxy-3-methoxybenzoic acid ethyl ester

C10H12O4

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID10642851

tert-Butyl 4-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}piperidine-1-carboxylate

C18H27NO5S

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

HCID21874806

tert-Butyl 4-{[4-(ethoxycarbonyl)-2-methoxyphenoxy]methyl}piperidine-1-carboxylate

C21H31NO6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c772f6a8f3745d3909d8d0e5fe8a7d3
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

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