Methanol → 4-[alpha-Amino-4-chloro-alpha-(o-chlorophenyl)-o-tolyl]-3-hydroxymethyl-5-methyl-4H-1,2,4-triazole
반응식
[C:28]([O:29][CH2:31][CH3:32])(=[O:30])[CH3:33].[CH3:26][OH:27].[NH2:1][CH:2]([c:3]1[c:4](-[n:10]2[c:11]([CH:16]3[CH2:17][CH2:18]3)[n:12][n:13][c:14]2[CH3:15])[cH:5][c:6]([Cl:9])[cH:7][cH:8]1)[c:19]1[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]1>>[NH2:1][CH:2]([c:3]1[c:4](-[n:10]2[c:11]([CH2:16][OH:30])[n:12][n:13][c:14]2[CH3:15])[cH:5][c:6]([Cl:9])[cH:7][cH:8]1)[c:19]1[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-ab4c39db0e104e8f940dbf9cb6e8852f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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