Hydrogen Bromide → Tert-butyl 4-[2-(3-{[(2-bromoethyl)amino]carbonyl}phenyl)ethyl]piperidine-1-carboxylate

HRID 673922Notes

Reaction equation

HRID 673922 reaction equation
[Br:48][CH2:49][CH2:50][NH2:51].[BrH:47].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][c:16]2[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1.[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH3:36].[ClH:25].[Na+:52].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1.[OH:53][C:54](=[O:55])[O-:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][c:16]2[cH:17][c:18]([C:19](=[O:20])[NH:51][CH2:50][CH2:49][Br:48])[cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 78512-BromoethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 574218263-{2-[1-(Tert-butoxycarbonyl)-4-piperidinyl]ethyl]benzoic acid

Product 1

HCID 57449151Tert-butyl 4-[2-(3-{[(2-bromoethyl)amino]carbonyl}phenyl)ethyl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-e99999dc29284e0291a9d67c94c74a1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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