Dichloromethane → {2-Methyl-4-[3-(4-trifluoromethyl-phenyl)-prop-2-ynylsulfanyl]-phenoxy}-acetic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 69458063{2-Methyl-4-[3-(4-trifluoromethyl-phenyl)-prop-2-ynylsulfanyl]-phenoxy}-acetic acid tert-butyl ester

생성물 1

HCID 11696577{2-Methyl-4-[3-(4-trifluoromethyl-phenyl)-prop-2-ynylsulfanyl]-phenoxy}-acetic acid

출처 및 근거

ORD 기록: ord-42a7016faf574687b710cb3bed9af210
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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