Hydrogen Bromide → 1-[(Benzo-1,4-dioxan-2-yl)-methyl]-4-(5-chloro-2-nitroanilino)-piperidine

HRID 2125837Notes

Reaction equation

HRID 2125837 reaction equation
[Br:1][CH2:2][CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[O:8]1.[BrH:13].[C:31](=[O:32])([O-:33])[O-:34].[CH:39]([C:40]([CH3:41])=[O:42])([CH3:43])[CH3:44].[Cl:14][c:15]1[cH:16][cH:17][c:18]([N+:28](=[O:29])[O-:30])[c:19]([NH:20][CH:21]2[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[cH:27]1.[I-:38].[K+:35].[K+:36].[K+:37].[OH2:45]>>[CH2:2]([CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[O:8]1)[N:24]1[CH2:23][CH2:22][CH:21]([NH:20][c:19]2[c:18]([N+:28](=[O:29])[O-:30])[cH:17][cH:16][c:15]([Cl:14])[cH:27]2)[CH2:26][CH2:25]1

Participants

9

Reactant 8

HCID 260Hydrogen BromideHCID 813Potassium Cation3×HCID 962WaterHCID 112513-Methyl-2-butanoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 983332-Bromomethyl-1,4-benzodioxaneHCID 20446694HCID 20446694, compound

Product 1

HCID 204467111-[(Benzo-1,4-dioxan-2-yl)-methyl]-4-(5-chloro-2-nitroanilino)-piperidine

Sources & evidence

ORD record
ord-298bfa8856e142518362dbbdcbb544fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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