1-Methyl-3-phenyl-1H-1,2,4-triazole → (4-chloro-5-ethyl-2-fluorophenyl)(2-methyl-5-phenyl-2H-1,2,4-triazol-3-yl)methanol
반응식
[CH2:1]([c:2]1[cH:3][c:4]([CH:5]([c:6]2[n:7]([CH3:8])[n:9][c:10](-[c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[n:17]2)[OH:18])[cH:19][cH:20][cH:21]1)[CH3:22].[CH3:23][n:24]1[n:25][c:26](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[n:27][cH:28]1.[Cl:35][c:36]1[cH:37][c:38]([F:46])[c:39]([CH:40]=[O:41])[cH:42][c:43]1[CH2:44][CH3:45]>>[CH3:23][n:24]1[n:25][c:26](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[n:27][c:28]1[CH:40]([c:39]1[c:38]([F:46])[cH:37][c:36]([Cl:35])[c:43]([CH2:44][CH3:45])[cH:42]1)[OH:41]참가 물질
4
출처 및 근거
- ORD 기록
- ord-76dbe3fc28a84589883ce2ee7373f19e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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