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Pyridine → 3-(4-Tert-butoxycarbonyl-piperazin-1-yl)-3-methylsulfanyl-2-cyano-acrylonitrile

HRID 205129
노트
인쇄 미리보기

반응식

HRID 205129 반응식
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[CH3:1][S:2][C:3](=[C:4]([C:5]#[N:6])[C:7]#[N:8])[S:9][CH3:10].[CH:30]([OH:31])([CH3:32])[CH3:33].[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[C:3](=[C:4]([C:5]#[N:6])[C:7]#[N:8])([S:9][CH3:10])[N:21]1[CH2:20][CH2:19][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:23][CH2:22]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1049PyridineHCID 3776IsopropanolHCID 992292-(Bis(methylsulfanyl)methylidene)propanedinitrileHCID 143452tert-Butyl piperazine-1-carboxylate

생성물 1

HCID 211906053-(4-Tert-butoxycarbonyl-piperazin-1-yl)-3-methylsulfanyl-2-cyano-acrylonitrile

출처 및 근거

ORD 기록
ord-fa153b960bab44f8abeb63100bba9201
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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