Methyl 3-(3-hydroxyphenyl)propionate → 3-(3-(((2-(Butyloxy)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methyl)oxy)phenyl)propanoic acid

반응식

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

참가 물질

반응물 2

HCID 1512675Methyl 3-(3-hydroxyphenyl)propionate

HCID 744378063-[3-[[3-Butoxy-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-4,4,4-trifluorobutanoic acid

생성물 1

HCID 577065513-(3-(((2-(Butyloxy)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methyl)oxy)phenyl)propanoic acid

출처 및 근거

ORD 기록: ord-f0de6aea79504c0b8910e40b84b01c53
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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