1-(3-Ethyl-2,4-dihydroxyphenyl)ethanone → 6-(3-((4-Acetyl-2-ethyl-3-hydroxyphenoxy)methyl)phenylthio) isonicotinonitrile

HRID 137030

반응식

HRID 137030 반응식
[CH2:18]([CH3:19])[c:20]1[c:21]([OH:30])[c:22]([C:27]([CH3:28])=[O:29])[cH:23][cH:24][c:25]1[OH:26].[OH:1][CH2:2][c:3]1[cH:4][c:5]([S:9][c:10]2[n:11][cH:12][cH:13][c:14]([C:15]#[N:16])[cH: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[n:11][cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17]2)[cH:6][cH:7][cH:8]1)[c:25]1[c:20]([CH2:18][CH3:19])[c:21]([OH:30])[c:22]([C:27]([CH3:28])=[O:29])[cH:23][cH:24]1

참가 물질

3

반응물 2

HCID 212870211-(3-Ethyl-2,4-dihydroxyphenyl)ethanoneHCID 573554602-{[3-(Hydroxymethyl)phenyl]sulfanyl}pyridine-4-carbonitrile

생성물 1

HCID 685358456-(3-((4-Acetyl-2-ethyl-3-hydroxyphenoxy)methyl)phenylthio) isonicotinonitrile

출처 및 근거

ORD 기록
ord-5456e12e49c74cb7b28561e3029b7e73
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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