1-Methyl-3-aminopyrazole → 4-[4-(Azetidine-1-carbonyl)-phenoxy]-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amide
반응식
[CH3:28][n:29]1[n:30][c:31]([NH2:34])[cH:32][cH:33]1.[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([O:11][c:12]3[cH:13][c:14]([C:23](=[O:24])[OH:25])[cH:15][c:16]4[c:17]3[CH2:18][C:19]([CH3:21])([CH3:22])[O:20]4)[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4]1>>[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([O:11][c:12]3[cH:13][c:14]([C:23](=[O:24])[NH:34][c:31]4[n:30][n:29]([CH3:28])[cH:33][cH:32]4)[cH:15][c:16]4[c:17]3[CH2:18][C:19]([CH3:21])([CH3:22])[O:20]4)[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-74b815089b5b46b394ab3234e601d9fc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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