Methanol → 7-Bromo-4-(2,6-difluoro-benzyl)-2-ethyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid cyclohexylamide
반응식
[CH3:53][OH:54].[CH:11]1([N+:12]#[C-:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:19]1([NH:25][C:26](=[O:27])[CH:28]2[N:29]([CH2:44][c:45]3[c:46]([F:52])[cH:47][cH:48][cH:49][c:50]3[F:51])[C:30](=[O:43])[CH:31]([CH:40]([CH3:41])[CH3:42])[O:32][c:33]3[c:34]2[cH:35][c:36]([Br:39])[cH:37][cH:38]3)[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1.[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([F:7])[c:8]1[CH2:9][NH2:10]>>[CH:19]1([NH:25][C:26](=[O:27])[CH:28]2[N:29]([CH2:44][c:45]3[c:46]([F:52])[cH:47][cH:48][cH:49][c:50]3[F:51])[C:30](=[O:43])[CH:31]([CH2:40][CH3:41])[O:32][c:33]3[c:34]2[cH:35][c:36]([Br:39])[cH:37][cH:38]3)[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-1701128636f5424cae1d87aa0647e0b8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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