Trifluoroacetic acid → alpha-[6-(1-Benzyloxycarbonyl-3-phenylpropylamino)-5-oxo-2-phenylperhydro-1,4-thiazepin-4-yl]acetic acid
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]1[C:22](=[O:42])[N:23]([CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:24][CH:25]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[S:26][CH2:27]1.[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]1[C:22](=[O:42])[N:23]([CH2:34][C:35](=[O:36])[OH:37])[CH2:24][CH:25]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[S:26][CH2:27]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-efa99920135543ed93ec9f58a1ac67b6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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