4-Amino-2-(trifluoromethyl)benzonitrile → 1,1,1-Trifluoro-4-phenyl-2-[(4-cyano-3-(trifluoromethyl)phenyl)iminomethyl]-4-methylpentan-2-ol

HRID 675550

반응식

HRID 675550 반응식
[C:19](#[N:20])[c:21]1[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][c:24]([NH2:25])[cH:26][cH:27]1.[OH:1][C:2]([CH:3]=[O:4])([CH2:5][C:6]([CH3:7])([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH3:14])[C:15]([F:16])([F:17])[F:18]>>[OH:1][C:2]([CH:3]=[N:25][c:24]1[cH:23][c:22]([C:28]([F:29])([F:30])[F:31])[c:21]([C:19]#[N:20])[cH:27][cH:26]1)([CH2:5][C:6]([CH3:7])([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH3:14])[C:15]([F:16])([F:17])[F:18]

참가 물질

3

반응물 2

HCID 5221704-Amino-2-(trifluoromethyl)benzonitrileHCID 179890922-Hydroxy-4-methyl-4-phenyl-2-trifluoromethylpentanal

생성물 1

HCID 179891761,1,1-Trifluoro-4-phenyl-2-[(4-cyano-3-(trifluoromethyl)phenyl)iminomethyl]-4-methylpentan-2-ol

출처 및 근거

ORD 기록
ord-08862efa32f44b8eb002dee1a38851e5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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