Toluene → N-(3-butyl-5-tert-butyl-1,3,4-thiadiazol-2-ylidene)-5-chloro-2-methoxybenzenecarbothioamide
반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](=[N:14][C:15]([c:16]2[c:17]([O:23][CH3:24])[cH:18][cH:19][c:20]([Cl:22])[cH:21]2)=[O:25])[s:7][c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[n:9]1.[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([P:32]2(=[S:35])[S:33][P:34]([c:36]3[cH:37][cH:38][c:39]([O:40][CH3:41])[cH:42][cH:43]3)(=[S:44])[S:45]2)[cH:46][cH:47]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](=[N:14][C:15]([c:16]2[c:17]([O:23][CH3:24])[cH:18][cH:19][c:20]([Cl:22])[cH:21]2)=[S:35])[s:7][c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[n:9]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-daf0a24432444313b4ac529516d0d3a3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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