Dimethyl Sulfoxide → [4-Cyano-5-(methyl-propyl-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].[CH3:21][NH:22][CH2:23][CH2:24][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+:17](=[O:18])[O-:19])[cH:10][c:11]([C:15]#[N:16])[c:12]([N:22]([CH3:21])[CH2:23][CH2:24][CH3:25])[cH:13]1)=[O:20]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 12315N-Methylpropylamine

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

생성물 1

HCID 69687961[4-Cyano-5-(methyl-propyl-amino)-2-nitro-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-e164e2b681b24188a22af47910bcc632
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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