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Ethylenediamine → Tert-butyl 4-(benzylthio)-4-(nitromethyl)piperidine-1-carboxylate

HRID 691424
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인쇄 미리보기

반응식

HRID 691424 반응식
[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[SH:22].[CH3:31][C:32]#[N:33].[N+:23](=[O:24])([O-:25])[CH3:26].[NH2:27][CH2:28][CH2:29][NH2:30].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1>>[C:2]1([S:22][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)([CH2:26][N+:23](=[O:24])[O-:25])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 3301EthylenediamineHCID 6342AcetonitrileHCID 6375NitromethaneHCID 7509Benzyl mercaptanHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylate

생성물 1

HCID 57475998Tert-butyl 4-(benzylthio)-4-(nitromethyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-d4764733c9684886814c2f287d6f5159
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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