HRID1676913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1

HCID2471

Bumetanide

C17H20N2O5S

HCID68166

1-Hexadecanaminium, N,N,N-trimethyl-, hydroxide (1:1)

C19H43NO

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCNc1cc(C(=O)[O-])cc(S(N)(=O)=O)c1Oc1ccccc1

HCID11721588

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

In a similar manner to Example 9, bumetanide can be reacted with cetyltrimethylammonium hydroxide in water to yield cetyltrimethylammonium 3-aminosulfonyl-5-butylamino-4-phenoxybenzoate.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1a2144bcdaa44bf9c46cbd2d932c998
来源数据集: uspto-grants-2011_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08008283B2
来源说明: uspto-grants-2011_08

反应 SMILES

[CH3:1][CH2:2][CH2:3][CH2:4][NH:5][C:6]1[CH:7]=[C:8]([C:23]([OH:25])=[O:24])[CH:9]=[C:10]([S:19]([NH2:22])(=[O:21])=[O:20])[C:11]=1[O:12][C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1.[OH-].[CH2:27]([N+:43]([CH3:46])([CH3:45])[CH3:44])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42]>O>[NH2:22][S:19]([C:10]1[CH:9]=[C:8]([CH:7]=[C:6]([NH:5][CH2:4][CH2:3][CH2:2][CH3:1])[C:11]=1[O:12][C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1)[C:23]([O-:25])=[O:24])(=[O:20])=[O:21].[CH2:27]([N+:43]([CH3:46])([CH3:44])[CH3:45])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42]