Propanedinitrile, 2-[(methylamino)(methylthio)methylene]- → Propanedinitrile, (((2-(((5-((bis(1-methylethyl)amino)methyl)-2-furanyl)methyl)amino)ethyl)amino)(methylamino)methylene)-

반응식

[CH3:19][S:20][C:21]([NH:22][CH3:23])=[C:24]([C:25]#[N:26])[C:27]#[N:28].[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]([CH3:6])[CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][NH:14][CH2:15][CH2:16][NH2:17])[o:18]1>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]([CH3:6])[CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][NH:14][CH2:15][CH2:16][NH:17][C:21]([NH:22][CH3:23])=[C:24]([C:25]#[N:26])[C:27]#[N:28])[o:18]1

참가 물질

반응물 2

HCID 3640288Propanedinitrile, 2-[(methylamino)(methylthio)methylene]-

HCID 104674625-(diisopropylaminomethyl)-N-(2-aminoethyl)furfurylamine

생성물 1

HCID 3077648Propanedinitrile, (((2-(((5-((bis(1-methylethyl)amino)methyl)-2-furanyl)methyl)amino)ethyl)amino)(methylamino)methylene)-

출처 및 근거

ORD 기록: ord-063e3fb2d56a40598ed8f6d139aab9cf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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