Hydroxide → Cetyltrimethylammonium

HRID 1208431Notes

Reaction equation

HRID 1208431 reaction equation
[CH2:27]([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])[N+:43]([CH3:44])([CH3:45])[CH3:46].[CH3:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[cH:7][c:8]([C:23]([OH:24])=[O:25])[cH:9][c:10]([S:19]([NH2:20])(=[O:21])=[O:22])[c:11]1[O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[OH-:26].[OH2:47]>>[CH2:27]([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])[N+:43]([CH3:44])([CH3:45])[CH3:46].[CH3:1][CH2:2][CH2:3][CH2:4][NH:5][c:6]1[cH:7][c:8]([C:23](=[O:24])[O-:25])[cH:9][c:10]([S:19]([NH2:20])(=[O:21])=[O:22])[c:11]1[O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1

Participants

6

Reactant 4

HCID 961HydroxideHCID 962WaterHCID 2471BumetanideHCID 2681Cetyltrimethylammonium

Product 2

HCID 2681CetyltrimethylammoniumHCID 40467008HCID 40467008, compound

Sources & evidence

ORD record
ord-5c69449515a04df7b2c049bfa1357ec6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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