Acetic Acid → Hydrogen Bromide

HRID 1125804Notes

Reaction equation

HRID 1125804 reaction equation
[BrH:26].[CH2:31]([O:32][CH2:33][CH3:34])[CH3:35].[CH3:27][C:28](=[O:29])[OH:30].[c:1]1([CH3:25])[cH:2][cH:3][c:4]([S:7][c:8]2[c:9]([CH:14]3[CH2:15][CH2:16][N:17]([C:20]([O:21][CH2:22][CH3:23])=[O:24])[CH2:18][CH2:19]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:5][cH:6]1>>[BrH:26].[c:1]1([CH3:25])[cH:2][cH:3][c:4]([S:7][c:8]2[c:9]([CH:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:5][cH:6]1

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 3283Diethyl EtherHCID 45258309Ethyl 4-(2-(4-tolylsulfanyl)phenyl)-piperidin-1-carboxylate

Product 2

HCID 260Hydrogen BromideHCID 9878913Tedatioxetine

Sources & evidence

ORD record
ord-31379515ed1d4d68b1c4de872c35dcc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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