Benzene → HCID 12539099, 화합물
반응식
[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[c:9]([S:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:10][cH:11]1.[ClH:30].[O:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1.[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][OH:6])[c:9]([S:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:10][cH:11]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-e4c2997108414373937513d72047272a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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