Methanol → 4-(2,4-Dioxo-8-methyl-1,3,8-triazaspiro[4.5]-decan-3-yl)-2-(trifluoromethyl)-benzonitrile
반응식
[CH3:26][OH:27].[NH:1]=[C:2]1[N:3]([c:14]2[cH:15][c:16]([C:22]([F:23])([F:24])[F:25])[c:17]([C:18]#[N:19])[cH:20][cH:21]2)[C:4](=[O:13])[NH:5][C:6]12[CH2:7][CH2:8][N:9]([CH3:12])[CH2:10][CH2:11]2>>[C:2]1(=[O:27])[N:3]([c:14]2[cH:15][c:16]([C:22]([F:23])([F:24])[F:25])[c:17]([C:18]#[N:19])[cH:20][cH:21]2)[C:4](=[O:13])[NH:5][C:6]12[CH2:7][CH2:8][N:9]([CH3:12])[CH2:10][CH2:11]2참가 물질
3
출처 및 근거
- ORD 기록
- ord-74e5af79c290490a86f5d31df4b4bdc5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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