Methanol → 1-(2,6-dichloro-4-trifluoromethylphenyl)-4-[(2-amino-1,2-dicyanoethenylimino)methyl]-1H-1,2,3-triazole
반응식
[CH3:28][OH:29].[Cl:1][c:2]1[c:3](-[n:13]2[n:14][n:15][c:16]([CH:18]=[O:19])[cH:17]2)[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[NH2:20][C:21](=[C:22]([C:23]#[N:24])[NH2:25])[C:26]#[N:27]>>[Cl:1][c:2]1[c:3](-[n:13]2[n:14][n:15][c:16]([CH:18]=[N:20][C:21](=[C:22]([C:23]#[N:24])[NH2:25])[C:26]#[N:27])[cH:17]2)[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-815c0aaa652b4090b62a29ea2f54a526
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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