Bromide ion → Methanesulfonic Acid

HRID 1125550Notes

Reaction equation

HRID 1125550 reaction equation
[Br-:52].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][S:28]([Cl:29])(=[O:30])=[O:31].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:53][CH2:54][CH2:55][CH2:56][N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69].[ClH:1].[F:32][C:33]([F:34])([F:35])[c:36]1[cH:37][cH:38][c:39]([OH:40])[cH:41][cH:42]1.[Na+:44].[OH-:43].[OH2:70].[c:2]1([CH:8]([N:9]2[CH2:10][CH:11]([OH:13])[CH2:12]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[CH3:27][S:28](=[O:30])([OH:31])=[O:40].[c:2]1([CH:8]([N:9]2[CH2:10][CH:11]([OH:13])[CH2:12]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

13

Reactant 11

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 8471TriethylamineHCID 16028TetrabutylammoniumHCID 31297Methanesulfonyl chlorideHCID 678744-(Trifluoromethyl)phenolHCID 3304481-(Diphenylmethyl)azetidin-3-ol

Product 2

HCID 6395Methanesulfonic AcidHCID 3304481-(Diphenylmethyl)azetidin-3-ol

Sources & evidence

ORD record
ord-d447f1c11efe4a4cbce3b0e10bfaffe3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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