1,3-dimethyl-1H-pyrazole-4-carboxylic acid → HCID 178434004, 화합물
반응식
[CH3:24][n:25]1[n:26][c:27]([CH3:33])[c:28]([C:30](=[O:31])[OH:32])[cH:29]1.[NH2:1][c:2]1[s:3][c:4](-[c:17]2[cH:18][c:19]([F:23])[cH:20][cH:21][cH:22]2)[c:5]([C:7](=[O:8])[N:9]2[CH:10]3[CH2:11][CH:12]3[CH2:13][CH:14]2[CH2:15][NH2:16])[n:6]1>>[NH2:1][c:2]1[s:3][c:4](-[c:17]2[cH:18][c:19]([F:23])[cH:20][cH:21][cH:22]2)[c:5]([C:7](=[O:8])[N:9]2[CH:10]3[CH2:11][CH:12]3[CH2:13][CH:14]2[CH2:15][NH:16][C:30]([c:28]2[c:27]([CH3:33])[n:26][n:25]([CH3:24])[cH:29]2)=[O:31])[n:6]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-ad80d0a3e0fa425abaa7e928d5ff6904
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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