4-Iodobenzoic acid → 4-[3-(4-Diethylamino-3-isopropylphenyl)-3-hydroxyprop-1-ynyl]benzoic acid

반응식

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

참가 물질

반응물 3

HCID 120854-Iodobenzoic acid

HCID 83717Copper iodide

HCID 866465761-(4-Diethylamino-3-isopropylphenyl)prop-2-yn-1-ol

생성물 1

HCID 672766054-[3-(4-Diethylamino-3-isopropylphenyl)-3-hydroxyprop-1-ynyl]benzoic acid

출처 및 근거

ORD 기록: ord-71bd267fd23e4987835ba3635bebdd21
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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