Dimethyl Sulfoxide → [4-Cyano-5-(isopropyl-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+:17](=[O:18])[O-:19])[cH:10][c:11]([C:15]#[N:16])[c:12]([F:14])[cH:13]1)=[O:20].[CH3:26][S:27]([CH3:28])=[O:29].[CH:21]([CH3:22])([CH3:23])[NH:24][CH3:25]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:17](=[O:18])[O-:19])[cH:10][c:11]([C:15]#[N:16])[c:12]([N:24]([CH:21]([CH3:22])[CH3:23])[CH3:25])[cH:13]1)=[O:20]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 78485N-Methylisopropylamine

HCID 696872744-(Boc-amino)-2-fluoro-5-nitrobenzonitrile

생성물 1

HCID 69688722[4-Cyano-5-(isopropyl-methyl-amino)-2-nitro-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-ae124c80d5c24770985ee3acec9ceacc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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