Sodium ion → p-Toluenesulfonate

HRID 173462Notes

Reaction equation

HRID 173462 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[N-:16]=[N+:17]=[N-:18].[Na+:15].[OH2:38].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:39]1([CH3:49])[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[OH:48])[cH:43][cH:44]1>>[CH2:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1)[NH2:16].[c:39]1([CH3:49])[cH:40][cH:41][c:42]([S:45](=[O:46])(=[O:47])[O-:48])[cH:43][cH:44]1

Participants

9

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 33558AzideHCID 27783862-Bromo-1-[3-(trifluoromethyl)phenyl]ethan-1-one

Product 2

HCID 85570p-ToluenesulfonateHCID 133658842-Amino-1-[3-(trifluoromethyl)phenyl]ethanone

Sources & evidence

ORD record
ord-fa5d9bf1db424da8be32effe9713dc89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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