Acetic Acid → [3-Bromo-5-(4-nitro-phenylsulphanyl)-phenyl]-ethylmethylamine

HRID 701709Notes

Reaction equation

[Br:1][c:2]1[cH:3][c:4]([NH:18][CH3:19])[cH:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2)[cH:7]1.[C:23]([BH3-:24])#[N:25].[CH3:27][C:28](=[O:29])[OH:30].[CH3:31][C:32]#[N:33].[CH:20]([CH3:21])=[O:22].[Na+:26]>>[Br:1][c:2]1[cH:3][c:4]([N:18]([CH3:19])[CH2:20][CH3:21])[cH:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2)[cH:7]1

Participants

Reactant 6

HCID 176Acetic Acid

HCID 177Acetaldehyde

HCID 923Sodium ion

HCID 6342Acetonitrile

HCID 498716Cyano-borohydride

HCID 19605547[3-Bromo-5-(4-nitrophenylsulphanyl)-phenyl]-methylamine

Product 1

HCID 53691384[3-Bromo-5-(4-nitro-phenylsulphanyl)-phenyl]-ethylmethylamine

Sources & evidence

ORD record: ord-dc9514c577014967ba0ae88c6ab244cd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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