Benzene → 1,3-Dimethyl-3-[5-(beta-chloro-alpha,alpha-dimethylethyl)-1,3,4-thiadiazol-2-yl]urea
반응식
[CH3:13][N:14]=[C:15]=[O:16].[CH3:1][NH:2][c:3]1[s:4][c:5]([C:8]([CH2:9][Cl:10])([CH3:11])[CH3:12])[n:6][n:7]1.[cH:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:1][N:2]([c:3]1[s:4][c:5]([C:8]([CH2:9][Cl:10])([CH3:11])[CH3:12])[n:6][n:7]1)[C:15]([NH:14][CH3:13])=[O:16]참가 물질
4
출처 및 근거
- ORD 기록
- ord-b77563b9877b4e6e83183a0108d6956b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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