Trifluoroacetic acid → 2-(acetylamino)-4-[2-(4-aminophenyl)ethyl]-N-(4-nitrobenzyl)-1,3-thiazole-5-carboxamide
반응식
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7]([C:26](=[O:27])[NH:28][CH2:29][c:30]2[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]2)[c:8]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:16][cH:17]2)[n:9]1.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7]([C:26](=[O:27])[NH:28][CH2:29][c:30]2[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]2)[c:8]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([NH2:18])[cH:16][cH:17]2)[n:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-040977ecb3e74de1b8e8c68ecc98d460
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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