Propargylamine → 2-[4-(3-amino-1-propynyl)-2-fluoroanilino]-3,4-difluoro-N-(2-hydroxyethoxy)benzamide
반응식
[CH2:1]([C:2]#[CH:3])[NH2:4].[F:5][c:6]1[c:7]([NH:20][c:21]2[c:22]([F:28])[cH:23][c:24]([I:27])[cH:25][cH:26]2)[c:8]([C:9](=[O:10])[NH:11][O:12][CH2:13][CH2:14][OH:15])[cH:16][cH:17][c:18]1[F:19]>>[CH2:1]([C:2]#[C:3][c:24]1[cH:23][c:22]([F:28])[c:21]([NH:20][c:7]2[c:6]([F:5])[c:18]([F:19])[cH:17][cH:16][c:8]2[C:9](=[O:10])[NH:11][O:12][CH2:13][CH2:14][OH:15])[cH:26][cH:25]1)[NH2:4]참가 물질
3
출처 및 근거
- ORD 기록
- ord-bd607c1e3b2f46eaa4c51f9bea26b767
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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