Benzene → N-(beta-Chloroethyl)-N-methyl-N'-(2trifluoromethyl-1,3,4-thiadiazol-5-yl)urea
반응식
[OH:1][CH2:2][CH2:3][N:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][n:10][c:11]([C:13]([F:14])([F:15])[F:16])[s:12]1)[CH3:17].[S:18]([Cl:19])([Cl:20])=[O:21].[cH:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH2:2]([CH2:3][N:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][n:10][c:11]([C:13]([F:14])([F:15])[F:16])[s:12]1)[CH3:17])[Cl:20]참가 물질
4
출처 및 근거
- ORD 기록
- ord-6fb99c1becec4a34a6fb996727e2502c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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