3-(Trifluoromethyl)phenyl isocyanate → 1-(1-Benzyl-2-pyrrolidylidene)-3-(m-trifluoromethylphenyl)urea
반응식
[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[N:13]1[C:14](=[NH:18])[CH2:15][CH2:16][CH2:17]1.[F:19][C:20]([c:21]1[cH:22][c:23]([N:27]=[C:28]=[O:29])[cH:24][cH:25][cH:26]1)([F:30])[F:31].[F:1][B-:2]([F:3])([F:4])[F:5]>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[N:13]1[C:14](=[N:18][C:28]([NH:27][c:23]2[cH:22][c:21]([C:20]([F:19])([F:30])[F:31])[cH:26][cH:25][cH:24]2)=[O:29])[CH2:15][CH2:16][CH2:17]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-659abeb609014ea48b35b66e8d28302a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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