2',4'-Dihydroxy-3'-propylacetophenone → 2-(3-((4-Acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio) isonicotinonitrile

반응식

[OH:18][c:19]1[c:20]([C:29]([CH3:30])=[O:31])[cH:21][cH:22][c:23]([OH:28])[c:24]1[CH2:25][CH2:26][CH3:27].[OH:1][CH2:2][c:3]1[cH:4][c:5]([S:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16][n:17]2)[cH:6][cH:7][cH:8]1>>[O:1]([CH2:2][c:3]1[cH:4][c:5]([S:9][c:10]2[cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16][n:17]2)[cH:6][cH:7][cH:8]1)[c:23]1[cH:22][cH:21][c:20]([C:29]([CH3:30])=[O:31])[c:19]([OH:18])[c:24]1[CH2:25][CH2:26][CH3:27]

참가 물질

반응물 2

HCID 27751982',4'-Dihydroxy-3'-propylacetophenone

HCID 573554602-{[3-(Hydroxymethyl)phenyl]sulfanyl}pyridine-4-carbonitrile

생성물 1

HCID 685356592-(3-((4-Acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio) isonicotinonitrile

출처 및 근거

ORD 기록: ord-c9fdd1de3b374171b17f7d5a7128d0f5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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