Trifluoroacetic acid → 4-[7-(3-Imidazol-1-ylprop-1-ynyl)-3-oxo-2H-isoquinolin-2-ylmethyl]benzoic Acid
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][n:14]2[cH:15][c:16]3[cH:17][c:18]([C:25]#[C:26][CH2:27][n:28]4[cH:29][n:30][cH:31][cH:32]4)[cH:19][cH:20][c:21]3[cH:22][c:23]2=[O:24])[cH:11][cH:12]1)=[O:33].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[O:5]=[C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][n:14]2[cH:15][c:16]3[cH:17][c:18]([C:25]#[C:26][CH2:27][n:28]4[cH:29][n:30][cH:31][cH:32]4)[cH:19][cH:20][c:21]3[cH:22][c:23]2=[O:24])[cH:11][cH:12]1)[OH:33]참가 물질
3
출처 및 근거
- ORD 기록
- ord-b286d6bec9824e28bd8b511e090bd931
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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