Acetic Acid → HCID 178525831, 화합물
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[C:42]([CH:43]=[O:44])(=[O:45])[OH:46].[C:47]([BH3-:48])#[N:49].[CH3:51][C:52](=[O:53])[OH:54].[CH3:55][OH:56].[ClH:1].[ClH:2].[ClH:3].[Na+:50].[nH:4]1[n:5][cH:6][c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[cH:17][c:18]4[c:19]([nH:20][c:21]([NH:23][c:24]5[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]5)[n:22]4)[cH:34][c:35]3[N:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[cH:11][c:12]12>>[nH:4]1[n:5][cH:6][c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[cH:17][c:18]4[c:19]([nH:20][c:21]([NH:23][c:24]5[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]5)[n:22]4)[cH:34][c:35]3[N:36]3[CH2:37][CH2:38][N:39]([CH2:43][C:42](=[O:45])[OH:46])[CH2:40][CH2:41]3)[cH:11][c:12]12참가 물질
8
출처 및 근거
- ORD 기록
- ord-4ea4ac0bdf23490e94d4fa61a56ee96f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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