Toluene → HCID 178459450, 화합물
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[CH2:11]([CH:12]=[CH2:13])[O:14][C:15]([C:16]([N:18]1[C:19](=[O:38])[CH:20]([CH:28]([CH3:29])[O:30][Si:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[CH3:37])[CH:21]1[CH:22]([CH3:23])[C:24](=[S:17])[S:26][CH3:27])=[O:25])=[O:39].[CH2:40]([O:41][C:42](=[O:43])[C:44]([N:45]1[CH:46]([CH:47]([C:48]([S:49][CH3:50])=[S:51])[CH3:52])[CH:53]([CH:54]([O:55][Si:56]([C:57]([CH3:58])([CH3:59])[CH3:60])([CH3:61])[CH3:62])[CH3:63])[C:64]1=[O:65])=[O:66])[CH:67]=[CH2:68].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[P:1]([O:2][CH2:3][CH3:4])([O:5][CH2:6][CH3:7])[O:8][CH2:9][CH3:10]>>[CH2:11]([CH:12]=[CH2:13])[O:14][C:15]([C:16]1=[C:24]([S:26][CH3:27])[CH:22]([CH3:23])[CH:21]2[N:18]1[C:19](=[O:38])[CH:20]2[CH:28]([CH3:29])[O:30][Si:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[CH3:37])=[O:39]참가 물질
4
출처 및 근거
- ORD 기록
- ord-d63a37b62e7f41fa88b688dba80a3b8f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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