HRID113815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID849

2-Piperidinecarboxylic acid

C6H11NO2

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31275

1,4-Dioxane

C4H8O2

HCID517990

4-(n-Butoxy)benzenesulfonyl chloride

C10H13ClO3S

PRODUCTS

生成物

结构：CCCCOc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1

HCID23296026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e725b6e2e94741bd8ae3d34275276bf2
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

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