Sulfuric Acid → Prop-2-yn-1-yl [3-methyl-1-(4-methylpyridin-3-yl)-5-phenyl-1H-pyrazol-4-yl]acetate

반응식

[CH3:10][c:11]1[n:12][n:13](-[c:26]2[cH:27][n:28][cH:29][cH:30][c:31]2[CH3:32])[c:14](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:15]1[CH2:16][C:17](=[O:18])[OH:19].[OH:1][CH2:2][C:3]#[CH:4].[S:5](=[O:6])(=[O:7])([OH:8])[OH:9]>>[CH:2]#[C:3][CH2:4][O:19][C:17]([CH2:16][c:15]1[c:11]([CH3:10])[n:12][n:13](-[c:26]2[cH:27][n:28][cH:29][cH:30][c:31]2[CH3:32])[c:14]1-[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:18]

참가 물질

반응물 3

HCID 1118Sulfuric Acid

HCID 7859Propargyl alcohol

HCID 68818330[3-Methyl-1-(4-methylpyridin-3-yl)-5-phenyl-1H-pyrazol-4-yl]acetic acid

생성물 1

HCID 86626935Prop-2-yn-1-yl [3-methyl-1-(4-methylpyridin-3-yl)-5-phenyl-1H-pyrazol-4-yl]acetate

출처 및 근거

ORD 기록: ord-c56d4459d8f248baadd9d7a924b57272
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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