HRID164361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

结构：NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl

HCID3440

Furosemide

C12H11ClN2O5S

PRODUCTS

生成物

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID4739262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0e9b8228df64bdf8e4f6accbe225e24
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

[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[N+:39]([CH3:40])([CH3:41])[CH3:42].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8]([OH:9])=[O:10])[c:11]([NH:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][o:18]2)[cH:19][c:20]1[Cl:21].[OH-:22].[OH2:43]>>[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[N+:39]([CH3:40])([CH3:41])[CH3:42].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[O-:10])[c:11]([NH:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][o:18]2)[cH:19][c:20]1[Cl:21]