Methanol → HCID 178430133, 화합물
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[BH3:42].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][OH:49].[Cl:1][c:2]1[c:3]([N:10]2[CH2:11][CH:12]([CH3:41])[N:13]([c:16]3[nH:17][c:18]4[c:19]([n:20]3)[cH:21][c:22]([C:37]([F:38])([F:39])[F:40])[cH:23][c:24]4[NH:25][C:26]([c:27]3[cH:28][c:29]([F:35])[c:30]([F:34])[c:31]([F:33])[cH:32]3)=[O:36])[CH2:14][CH2:15]2)[n:4][cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[Na+:51].[OH-:50]>>[Cl:1][c:2]1[c:3]([N:10]2[CH2:11][CH:12]([CH3:41])[N:13]([c:16]3[nH:17][c:18]4[c:19]([n:20]3)[cH:21][c:22]([C:37]([F:38])([F:39])[F:40])[cH:23][c:24]4[NH:25][CH2:26][c:27]3[cH:28][c:29]([F:35])[c:30]([F:34])[c:31]([F:33])[cH:32]3)[CH2:14][CH2:15]2)[n:4][cH:5][c:6]([CH2:8][OH:9])[cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-414cd3f578e94f7f9325797759c5b21e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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