HRID140804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID231228

Benzyl 1-aminocyclopentane-1-carboxylate

C13H17NO2

HCID2794749

4'-Fluorobiphenyl-4-sulfonyl chloride

C12H8ClFO2S

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)C1(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCCC1

HCID15480008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98469ba9c6f14121863c5f3c791cf345
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20](=[O:21])[C:22]1([NH2:27])[CH2:23][CH2:24][CH2:25][CH2:26]1.[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[F:35][c:36]1[cH:37][cH:38][c:39](-[c:42]2[cH:43][cH:44][c:45]([S:48](=[O:49])(=[O:50])[Cl:51])[cH:46][cH:47]2)[cH:40][cH:41]1.[OH2:52].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20](=[O:21])[C:22]1([NH:27][S:48]([c:45]2[cH:44][cH:43][c:42](-[c:39]3[cH:38][cH:37][c:36]([F:35])[cH:41][cH:40]3)[cH:47][cH:46]2)(=[O:49])=[O:50])[CH2:23][CH2:24][CH2:25][CH2:26]1