2,3-dihydro-7-hydroxy-8-(phenylmethyl)-4H-1-benzopyran-4-one → 2-[5-[(3,4-dihydro-4-oxo-8-(phenylmethyl)-2H-1-benzopyran-7-yl)oxy]pentyloxy]benzenepropanoic acid methyl ester

반응식

[CH3:20][O:21][C:22]([CH2:23][CH2:24][c:25]1[c:26]([O:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][O:37][S:38]([CH3:39])(=[O:40])=[O:41])[cH:27][cH:28][cH:29][cH:30]1)=[O:42].[OH:1][c:2]1[c:3]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:4]2[c:5]([cH:11][cH:12]1)[C:6](=[O:10])[CH2:7][CH2:8][O:9]2>>[O:1]([c:2]1[c:3]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:4]2[c:5]([cH:11][cH:12]1)[C:6](=[O:10])[CH2:7][CH2:8][O:9]2)[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][O:31][c:26]1[c:25]([CH2:24][CH2:23][C:22]([O:21][CH3:20])=[O:42])[cH:30][cH:29][cH:28][cH:27]1

참가 물질

반응물 2

HCID 199219532,3-dihydro-7-hydroxy-8-(phenylmethyl)-4H-1-benzopyran-4-one

HCID 541680372-[[5-[(Methylsulfonyl)oxy]pentyl]oxy]benzenepropanoic Acid Methyl Ester

생성물 1

HCID 541632302-[5-[(3,4-dihydro-4-oxo-8-(phenylmethyl)-2H-1-benzopyran-7-yl)oxy]pentyloxy]benzenepropanoic acid methyl ester

출처 및 근거

ORD 기록: ord-8e734e046c6d43d69517369f477de6ad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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