Dimethyl Sulfoxide → (4-Fluoro-2-nitro-5-pyrrolidin-1-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+:16](=[O:17])[O-:18])[cH:10][c:11]([F:15])[c:12]([Cl:14])[cH:13]1)=[O:19].[CH2:20]1[CH2:21][CH2:22][NH:23][CH2:24]1.[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]([F:15])[c:12]([N:23]2[CH2:22][CH2:21][CH2:20][CH2:24]2)[cH:13]1)=[O:19]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 31268Pyrrolidine

HCID 46738284tert-Butyl (5-chloro-4-fluoro-2-nitrophenyl)carbamate

생성물 1

HCID 69688094(4-Fluoro-2-nitro-5-pyrrolidin-1-yl-phenyl)-carbamic acid tert.-butyl ester

출처 및 근거

ORD 기록: ord-623e0ae9e78f4cea9b3ba7aede65dffc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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