Ethyl Acetate → 2-amino-4-ethyl-5-(2-methyl-2H-pyrazol-3-yl)-benzoic acid methyl ester
반응식
[CH3:15][n:16]1[n:17][cH:18][cH:19][c:20]1[Sn:21]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH2:32][CH3:33].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:13])[cH:6][c:7]([CH2:11][CH3:12])[c:8]([I:10])[cH:9]1)=[O:14].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:13])[cH:6][c:7]([CH2:11][CH3:12])[c:8](-[c:20]2[n:16]([CH3:15])[n:17][cH:18][cH:19]2)[cH:9]1)=[O:14]참가 물질
5
출처 및 근거
- ORD 기록
- ord-9d54f2215002440e9dffe5c94deda236
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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