Methanol → HCID 178522187, 화합물
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[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[CH:12]([C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][c:26]([F:48])[c:27]([NH:30][C:31](=[O:32])[c:33]4[n:34][c:35](-[c:42]5[cH:43][cH:44][cH:45][cH:46][cH:47]5)[o:36][c:37]4[C:38]([F:39])([F:40])[F:41])[cH:28][cH:29]3)[CH2:22][CH2:23]2)[CH2:13][CH2:14][CH2:15]1.[CH3:49][OH:50].[Li+:51].[OH-:52].[OH2:53]>>[O:8]=[C:9]([OH:10])[CH:11]1[CH:12]([C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][c:26]([F:48])[c:27]([NH:30][C:31](=[O:32])[c:33]4[n:34][c:35](-[c:42]5[cH:43][cH:44][cH:45][cH:46][cH:47]5)[o:36][c:37]4[C:38]([F:39])([F:40])[F:41])[cH:28][cH:29]3)[CH2:22][CH2:23]2)[CH2:13][CH2:14][CH2:15]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-01dd4e81960b4812a35f1be1e783a4c6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)