4-[2-(4-Butylphenyl)ethynyl]benzaldehyde → HCID 11419584, 화합물

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][CH:22]1[CH2:23][CH2:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([C:32](=[O:33])[O:34][CH3:35])[cH:30][c:31]21>>[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][CH:22]3[CH2:23][CH2:24][CH2:25][c:26]4[cH:27][cH:28][c:29]([C:32](=[O:33])[O:34][CH3:35])[cH:30][c:31]43)[cH:19][cH:20]2)[cH:9][cH:10]1

참가 물질

반응물 2

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

HCID 45089709Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate

생성물 1

HCID 11419584HCID 11419584, 화합물

출처 및 근거

ORD 기록: ord-880b2ff4259d4f8588a50c13ffb674ba
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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