4-(2-methyl-1H-imidazol-1-yl)benzoic acid → CK 2130
반응식
[CH2:1]([CH3:2])[c:3]1[c:4]([C:9](=[O:10])[OH:11])[nH:5][c:6](=[O:8])[nH:7]1.[CH3:12][c:13]1[n:14](-[c:18]2[cH:19][cH:20][c:21]([C:22]([OH:23])=[O:24])[cH:25][cH:26]2)[cH:15][cH:16][n:17]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([C:9](=[O:11])[c:21]2[cH:20][cH:19][c:18](-[n:14]3[c:13]([CH3:12])[n:17][cH:16][cH:15]3)[cH:26][cH:25]2)[nH:5][c:6](=[O:8])[nH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-ed62760822684b94b1ef89f5e79575bc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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