Bromide ion → N-methylbenzothiazolone

HRID 678423Notes

Reaction equation

HRID 678423 reaction equation
[Br-:28].[CH2:29]([N+:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:20][O:21][S:22]([O:23][CH3:24])(=[O:25])=[O:26].[Na+:12].[OH-:11].[OH2:27].[S:1]1(=[O:10])[CH:2]=[N:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[S:1]1(=[O:10])[CH2:2][N:3]([CH3:13])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 6497Dimethyl SulfateHCID 16028TetrabutylammoniumHCID 53400715Benzothiazolinone

Product 1

HCID 20026384N-methylbenzothiazolone

Sources & evidence

ORD record
ord-b0ebff7cff7541118028a25e8c50b7ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…