Acetic Acid → 4,5-Dihydro-4-(4-pentafluoropropionamidobutan-1-yl)-3H-1,4,8b-triazaacenaphthylene
반응식
[CH3:26][C:27](=[O:28])[OH:29].[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH2:9][NH:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][c:16]2[n:17]1[cH:18][cH:19][n:20]2)([C:21]([F:22])([F:23])[F:24])[F:25]>>[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH2:9][N:10]1[CH2:11][c:12]2[cH:13][cH:14][cH:15][c:16]3[n:17]2[c:18]([cH:19][n:20]3)[CH2:26]1)([C:21]([F:22])([F:23])[F:24])[F:25]참가 물질
3
출처 및 근거
- ORD 기록
- ord-3246436f80ad47c8b5382e9383424bc2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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