HRID95522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6923

2-tert-Butylphenol

C10H14O

HCID854140

tert-Butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate

C12H23NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CCOc2ccccc2C(C)(C)C)CC1

HCID59577273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1adc34d1f4b042bda42cb19c99e012f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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