Hydrochloric Acid → Ethyl 2-{4-[15-(trifluoromethyl)pentadecylamino]benzoyl}acetoacetate
반응식
[C:1]([CH2:2][C:3](=[O:4])[CH3:5])(=[O:6])[O:7][CH2:8][CH3:9].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[ClH:12].[F:13][C:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][NH:30][c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[Cl:37])[cH:38][cH:39]1)([F:40])[F:41].[H-:10].[Na+:11]>>[C:1]([CH:2]([C:3](=[O:4])[CH3:5])[C:35]([c:34]1[cH:33][cH:32][c:31]([NH:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][C:14]([F:13])([F:40])[F:41])[cH:39][cH:38]1)=[O:36])(=[O:6])[O:7][CH2:8][CH3:9]참가 물질
7
출처 및 근거
- ORD 기록
- ord-28f3a2b34bbe45df9270ae13f951f958
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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