1-[2-(Trifluoromethyl)benzoyl]piperazine → 6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-HYDROXY-3,3-DIMETHYLBUTYL)AMIDE

반응식

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

참가 물질

반응물 2

HCID 167337841-[2-(Trifluoromethyl)benzoyl]piperazine

HCID 86025983HCID 86025983, 화합물

생성물 1

HCID 668500126-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-HYDROXY-3,3-DIMETHYLBUTYL)AMIDE

출처 및 근거

ORD 기록: ord-8b34f791437e48d5a4ff420723a17ed9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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