4-[2-(4-Butylphenyl)ethynyl]benzaldehyde → Methyl 4-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate

반응식

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20]2)[cH:9][cH:10]1.[NH2:21][c:22]1[cH:23][c:24]([F:32])[c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:21][c:22]3[cH:23][c:24]([F:32])[c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[cH:19][cH:20]2)[cH:9][cH:10]1

참가 물질

반응물 2

HCID 113345124-[2-(4-Butylphenyl)ethynyl]benzaldehyde

HCID 21957875Methyl 4-amino-2-fluorobenzoate

생성물 1

HCID 11292930Methyl 4-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate

출처 및 근거

ORD 기록: ord-8bf72a0ece0343db8ee9abcfb0d5f418
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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