Benzene, 1-iodo-2-(trifluoromethyl)- → {2-Methyl-4-[3-(2-trifluoromethyl-phenyl)-prop-2-ynylsulfanyl]-phenoxy}-acetic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

HCID 67957Benzene, 1-iodo-2-(trifluoromethyl)-

HCID 86602538(2-Methyl-4-prop-2-ynylsulfanyl-phenoxy)-acetic acid tert-butyl ester

생성물 1

HCID 69460627{2-Methyl-4-[3-(2-trifluoromethyl-phenyl)-prop-2-ynylsulfanyl]-phenoxy}-acetic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-fe1545acdc754fe28d75005973023625
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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