1,1-Bis(methylthio)-2-nitroethylene → 1-Nitro-2-(2-propynylamino)-2-{2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino}ethylene

반응식

[Br:1][c:2]1[n:3][cH:4][nH:5][c:6]1[CH2:7][S:8][CH2:9][CH2:10][NH2:11].[CH2:21]([C:22]#[CH:23])[NH2:24].[CH3:12][S:13][C:14](=[CH:15][N+:16](=[O:17])[O-:18])[S:19][CH3:20]>>[Br:1][c:2]1[n:3][cH:4][nH:5][c:6]1[CH2:7][S:8][CH2:9][CH2:10][NH:11][C:14](=[CH:15][N+:16](=[O:17])[O-:18])[NH:24][CH2:21][C:22]#[CH:23]

참가 물질

반응물 3

HCID 836231,1-Bis(methylthio)-2-nitroethylene

HCID 239041Propargylamine

HCID 127889492-(((5-Bromo-1H-imidazol-4-yl)methyl)thio)ethanamine

생성물 1

HCID 740425911-Nitro-2-(2-propynylamino)-2-{2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino}ethylene

출처 및 근거

ORD 기록: ord-53a4488f34094305afe909be08229694
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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