4-Ethoxybenzaldehyde → 6-[4-[(4-Ethoxyphenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
반응식
[CH2:20]([CH3:21])[O:22][c:23]1[cH:24][cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30]1.[N:1]1([c:7]2[cH:8][cH:9][c:10]3[n:11]([n:12]2)[c:13]([C:16]([F:17])([F:18])[F:19])[n:14][n:15]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]3[n:11]([n:12]2)[c:13]([C:16]([F:17])([F:18])[F:19])[n:14][n:15]3)[CH2:2][CH2:3][N:4]([CH2:27][c:26]2[cH:25][cH:24][c:23]([O:22][CH2:20][CH3:21])[cH:30][cH:29]2)[CH2:5][CH2:6]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-1aee434efa2f429087eac893e31c7ba6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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