Acetone → 4-[(3-Chloropropyl)sulfanyl]-2-nitroaniline

HRID 160692

Reaction equation

HRID 160692 reaction equation
[BH4-:19].[CH3:14][N:15]([CH3:16])[CH:17]=[O:18].[CH3:27][C:28](=[O:29])[CH3:30].[Cl:21][CH2:22][CH2:23][CH2:24][Br:25].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([S:11][C:12]#[N:13])[cH:10]1.[Na+:20].[OH2:26]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([S:11][CH2:12][CH2:23][CH2:22][Cl:21])[cH:10]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 80061-Bromo-3-chloropropaneHCID 28123BorohydrideHCID 1046774-Amino-3-nitrophenyl thiocyanate

Product 1

HCID 214502084-[(3-Chloropropyl)sulfanyl]-2-nitroaniline

Sources & evidence

ORD record
ord-32a91717b941439583df97dd14bc45af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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