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

반응식

[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].[CH2:20]([CH:21]([CH3:22])[CH3:23])[NH:24][CH3:25].[CH3:26][S:27]([CH3:28])=[O:29]>>[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:24]([CH2:20][CH:21]([CH3:22])[CH3:23])[CH3:25])[cH:13]1)=[O:19]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 12249N-Methylisobutylamine

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

생성물 1

HCID 69489728[4-Chloro-5-(isobutyl-methyl-amino)-2-nitro-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-ec476b97cc81417b9e2a2201d83a2543
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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