4-Amino-3-methyl-2-(trifluoromethyl)benzonitrile → 4-Cyano-2-methyl-3-trifluoromethylphenyl isocyanate
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[N:15](=[C:16]=[O:17])[c:18]1[c:19]2[c:24]([c:25]([C:26]#[N:27])[cH:28][cH:29]1)[CH2:23][CH2:22][CH2:21][CH2:20]2.[NH2:1][c:2]1[c:3]([CH3:14])[c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:6]#[N:7])[cH:8][cH:9]1>>[N:1]([c:2]1[c:3]([CH3:14])[c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:6]#[N:7])[cH:8][cH:9]1)=[C:16]=[O:17]참가 물질
3
출처 및 근거
- ORD 기록
- ord-258fbe6df26548699792b955f96610be
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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