Ethanol → HCID 20520589, 화합물
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[CH3:26][CH2:27][OH:28].[Cl:16][CH2:17][CH:18]1[CH:19]([C:24]#[N:25])[CH2:20][CH2:21][CH2:22][CH2:23]1.[Na:1].[SH:2][c:3]1[cH:4][c:5]([CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:15])[cH:6][cH:7][cH:8]1>>[S:2]([c:3]1[cH:4][c:5]([CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:15])[cH:6][cH:7][cH:8]1)[CH2:17][CH:18]1[CH:19]([C:24]#[N:25])[CH2:20][CH2:21][CH2:22][CH2:23]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-8761a075f0bf4d5c961471d8fda95739
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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