Ethanol → HCID 13770583, 화합물
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[CH3:21][CH2:22][OH:23].[Cl:2][CH2:3][CH2:4][CH:5]([C:6](=[O:7])[NH:8][c:9]1[s:10][cH:11][c:12]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:13]1[C:14]#[N:15])[CH3:20].[Na:1]>>[CH2:3]1[CH2:4][CH:5]([CH3:20])[C:6](=[O:7])[N:8]1[c:9]1[s:10][cH:11][c:12]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:13]1[C:14]#[N:15]참가 물질
4
출처 및 근거
- ORD 기록
- ord-b79d3e01d5c84436a14873ac507ba639
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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