Water → [5-Methoxy-2-methyl-4-(3-methyl-4'-trifluoromethyl-biphenyl-4-ylmethylsulfanyl)-phenoxy]-acetic acid

반응식

[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:33])[cH:8][c:9]([S:14][CH2:15][c:16]2[c:17]([CH3:32])[cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[cH:20][cH:21]2)[c:10]([O:12][CH3:13])[cH:11]1)=[O:34].[OH2:35]>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:33])[cH:8][c:9]([S:14][CH2:15][c:16]2[c:17]([CH3:32])[cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[cH:20][cH:21]2)[c:10]([O:12][CH3:13])[cH:11]1)[OH:34]

참가 물질

반응물 2

HCID 962Water

HCID 20827046[5-Methoxy-2-methyl-4-(3-methyl-4'-trifluoromethyl-biphenyl-4-ylmethylsulfanyl)-phenoxy]-acetic acid methyl ester

생성물 1

HCID 10288768[5-Methoxy-2-methyl-4-(3-methyl-4'-trifluoromethyl-biphenyl-4-ylmethylsulfanyl)-phenoxy]-acetic acid

출처 및 근거

ORD 기록: ord-7878389df64b4a319cea3148cba43642
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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