Toluene → HCID 20263188, 화합물
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[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[C:9]([CH3:21])([CH3:22])[CH:10]1[C:11]#[C:12][C:13](=[O:14])[O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[O:5]=[C:6]([OH:7])[CH:8]1[C:9]([CH3:21])([CH3:22])[CH:10]1[C:11]#[C:12][C:13](=[O:14])[O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]참가 물질
4
출처 및 근거
- ORD 기록
- ord-e790201662e04d08a56f1b86a8b8514c
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
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