Acetic Acid → HCID 73173106, 화합물
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[CH3:30][C:31]([OH:32])=[O:33].[NH2:1][CH2:2][c:3]1[c:4]([NH:20][CH:21]([CH3:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:5][c:6]2[c:7]([n:8][cH:9][n:10]2-[c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[cH:19]1>>[NH:1]([CH2:2][c:3]1[c:4]([NH:20][CH:21]([CH3:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:5][c:6]2[c:7]([n:8][cH:9][n:10]2-[c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[cH:19]1)[C:31]([CH3:30])=[O:32]참가 물질
3
출처 및 근거
- ORD 기록
- ord-83d659e81afb43df8d53d8e906d9c94c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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