HRID2324530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8028

Tetrahydrofuran

C4H8O

HCID2763851

tert-Butyl 3-(hydroxymethyl)piperidine-1-carboxylate

C11H21NO3

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCC2CCCN(C(=O)OC(C)(C)C)C2)cc1

HCID18369320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27b4e0bead69435aacdd1e4394c02f87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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