Acetate → HCID 66600288, 화합물
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[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH2:37][N:38]([CH2:41][c:42]2[cH:43][c:44]([B:49]([OH:50])[OH:51])[c:45]([F:48])[n:46][cH:47]2)[CH2:39][CH2:40]1.[CH3:53][C:54](=[O:55])[O-:56].[CH3:57][CH2:58][OH:59].[Cl:1][c:2]1[cH:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1.[K+:52].[OH2:60]>>[c:2]1(-[c:44]2[cH:43][c:42]([CH2:41][N:38]3[CH2:37][CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:40][CH2:39]3)[cH:47][n:46][c:45]2[F:48])[cH:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-c321fad5dcbb4c74b98e2908f64f5892
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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