Undecane → 2,2-bis(fluoromethyl)-N-(2-cyanoethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxamide

반응식

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

참가 물질

반응물 2

HCID 14257Undecane

HCID 18424403N-(2-cyanoethyl)-5-fluoro-4-fluoromethyl-4-(4-trifluoromethylphenoxy)-2-pentynamide

생성물 1

HCID 99507522,2-bis(fluoromethyl)-N-(2-cyanoethyl)-6-trifluoromethyl-2H-1-benzopyran-4-carboxamide

출처 및 근거

ORD 기록: ord-eff6adcae3a14dfe868e788b39ce6a54
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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