Hydroxide → Benzyltrimethylammonium

HRID 2160878Notes

Reaction equation

HRID 2160878 reaction equation
[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N+:9]([CH3:10])([CH3:11])[CH3:12].[CH3:13][CH2:14][CH2:15][CH2:16][NH:17][c:18]1[cH:19][c:20]([C:35]([OH:36])=[O:37])[cH:21][c:22]([S:31]([NH2:32])(=[O:33])=[O:34])[c:23]1[O:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[OH-:1].[OH2:45]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N+:9]([CH3:10])([CH3:11])[CH3:12].[CH3:13][CH2:14][CH2:15][CH2:16][NH:17][c:18]1[cH:19][c:20]([C:35](=[O:36])[O-:37])[cH:21][c:22]([S:31]([NH2:32])(=[O:33])=[O:34])[c:23]1[O:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1

Participants

7

Reactant 5

HCID 961HydroxideHCID 962WaterHCID 2471BumetanideHCID 5964BenzyltrimethylammoniumHCID 8900Heptane

Product 2

HCID 5964BenzyltrimethylammoniumHCID 40467008HCID 40467008, compound

Sources & evidence

ORD record
ord-ac8ae31d7af847699f50730b0e5e6b86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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