HRID1130029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID407054

4-Pentylpiperidine

C10H21N

HCID12809530

未命名化合物

PRODUCTS

产物

HCID12809531

1-(trans-4-Methoxycarbonylcyclohexyl)4-pentylpiperidine

C18H33NO2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-605151e7b61e468d88cd5f4275153cd7
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

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