Ethanol → 1-(4-Methoxyphenyl)-3-phenylindane-2-carboxylic acid

반응식

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[CH:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:30][CH2:31][OH:32].[OH2:29]>>[O:3]=[C:4]([OH:5])[CH:6]1[CH:7]([c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[CH:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 962Water

HCID 67643697Ethyl(1RS,2SR,3SR)-1-(4-Methoxyphenyl)-3-phenylindane-2-carboxylate

생성물 1

HCID 159084991-(4-Methoxyphenyl)-3-phenylindane-2-carboxylic acid

출처 및 근거

ORD 기록: ord-ecb3d9e550554cebae9a1f92168d5ba7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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