HRID2349442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2969

Decanoic acid

C10H20O2

结构：CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1

HCID5358

Sumatriptan

C14H21N3O2S

HCID8857

Ethyl acetate

C4H8O2

PRODUCTS

生成物

HCID5358

Sumatriptan

C14H21N3O2S

HCID4678093

Decanoic acid, ion(1-)

C10H19O2-

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ca86c277c354de09ad8dd4589878edd
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

[CH3:13][NH:14][S:15](=[O:16])(=[O:17])[CH2:18][c:19]1[cH:20][cH:21][c:22]2[nH:23][cH:24][c:25]([CH2:26][CH2:27][N:28]([CH3:29])[CH3:30])[c:31]2[cH:32]1.[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10]([OH:11])=[O:12].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38]>>[CH3:13][NH:14][S:15](=[O:16])(=[O:17])[CH2:18][c:19]1[cH:20][cH:21][c:22]2[nH:23][cH:24][c:25]([CH2:26][CH2:27][N:28]([CH3:29])[CH3:30])[c:31]2[cH:32]1.[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[O-:12]