Hydroxide → Cetyltrimethylammonium

HRID 164361

Reaction equation

HRID 164361 reaction equation
[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]

Participants

6

Reactant 4

HCID 961HydroxideHCID 962WaterHCID 2681CetyltrimethylammoniumHCID 3440Furosemide

Product 2

HCID 2681CetyltrimethylammoniumHCID 47392624-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate

Sources & evidence

ORD record
ord-e0e9b8228df64bdf8e4f6accbe225e24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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