2-(Chloromethyl)-4-fluoro-1-(trifluoromethyl)benzene → 6-[4-(5-FLUORO-2-TRIFLUOROMETHYLBENZYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
반응식
[CH3:14][CH:15]([CH2:16][CH2:17][NH:18][C:19](=[O:20])[c:21]1[n:22][n:23][c:24]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:25][cH:26]1)[CH3:33].[F:1][c:2]1[cH:3][cH:4][c:5]([C:10]([F:11])([F:12])[F:13])[c:6]([CH2:7][Cl:8])[cH:9]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:10]([F:11])([F:12])[F:13])[c:6]([CH2:7][N:30]2[CH2:29][CH2:28][N:27]([c:24]3[n:23][n:22][c:21]([C:19]([NH:18][CH2:17][CH2:16][CH:15]([CH3:14])[CH3:33])=[O:20])[cH:26][cH:25]3)[CH2:32][CH2:31]2)[cH:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-41fd161b7e5c48f1bfcc200a8e7081f6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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