Dimethyl Sulfoxide → [4-Chloro-5-(methyl-propyl-amino)-2-nitro-phenyl]-carbamic acid tert-butyl ester

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:16](=[O:17])[O-:18])[cH:10][c:11]([Cl:15])[c:12]([Cl:14])[cH:13]1)=[O:19].[CH3:20][NH:21][CH2:22][CH2:23][CH3:24].[CH3:25][S:26]([CH3:27])=[O:28]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:16](=[O:17])[O-:18])[cH:10][c:11]([Cl:15])[c:12]([N:21]([CH3:20])[CH2:22][CH2:23][CH3:24])[cH:13]1)=[O:19]

Participants

Reactant 3

HCID 679Dimethyl Sulfoxide

HCID 12315N-Methylpropylamine

HCID 69489445tert-butyl N-(4,5-dichloro-2-nitrophenyl)carbamate

Product 1

HCID 69688378[4-Chloro-5-(methyl-propyl-amino)-2-nitro-phenyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record: ord-fca064ee1bc847568122f18bd7cc3bd5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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