4'-(Trifluoromethyl)[1,1'-biphenyl]-3-methanol → [7-(4'-Trifluoromethyl-biphenyl-3-ylmethylsulfanyl)-indan-4-yloxy]-acetic Acid

반응식

[CH3:19][O:20][C:21]([CH2:22][O:23][c:24]1[c:25]2[c:29]([c:30]([S:33][CH2:34][c:35]3[cH:36][c:37](-[c:41]4[cH:42][cH:43][c:44]([C:47]([F:48])([F:49])[F:50])[cH:45][cH:46]4)[cH:38][cH:39][cH:40]3)[cH:31][cH:32]1)[CH2:28][CH2:27][CH2:26]2)=[O:51].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][cH:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][c:13]([CH2:14][OH:15])[cH:16]2)[cH:17][cH:18]1>>[O:20]=[C:21]([CH2:22][O:23][c:24]1[c:25]2[c:29]([c:30]([S:33][CH2:34][c:35]3[cH:36][c:37](-[c:41]4[cH:42][cH:43][c:44]([C:47]([F:48])([F:49])[F:50])[cH:45][cH:46]4)[cH:38][cH:39][cH:40]3)[cH:31][cH:32]1)[CH2:28][CH2:27][CH2:26]2)[OH:51]

참가 물질

반응물 2

HCID 144680034'-(Trifluoromethyl)[1,1'-biphenyl]-3-methanol

HCID 20827075[7-(4'-Trifluoromethyl-biphenyl-3-ylmethylsulfanyl)-indan-4-yloxy]-acetic acid methyl ester

생성물 1

HCID 22280056[7-(4'-Trifluoromethyl-biphenyl-3-ylmethylsulfanyl)-indan-4-yloxy]-acetic Acid

출처 및 근거

ORD 기록: ord-76bd6df52aec45aebeb5753bae2aa785
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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