Ethanol → 1-(4-Fluorophenyl)-3-(4-hydroxyphenoxy)methyl-2-methyl-5-(4-methylsulfonylphenyl)pyrrole

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 224606781-(4-Fluorophenyl)-3-(4-benzyloxyphenoxy)methyl-2-methyl-5-(4-methylsulfonylphenyl)pyrrole

생성물 1

HCID 224606801-(4-Fluorophenyl)-3-(4-hydroxyphenoxy)methyl-2-methyl-5-(4-methylsulfonylphenyl)pyrrole

출처 및 근거

ORD 기록: ord-bec5c495792541569c153e5f0b8fd360
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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