Dimethyl Sulfoxide → (4-Cyano-2-nitro-5-thiomorpholin-4-yl-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].[CH2:21]1[CH2:22][S:23][CH2:24][CH2:25][NH:26]1.[CH3:27][S:28]([CH3:29])=[O:30]>>[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:26]2[CH2:21][CH2:22][S:23][CH2:24][CH2:25]2)[cH:13]1)=[O:20]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 67164Thiomorpholine

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

생성물 1

HCID 69780718(4-Cyano-2-nitro-5-thiomorpholin-4-yl-phenyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-ed70737f84c949349d5dfd711f9da200
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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