Hexane → HCID 57602861, 화합물
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[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[CH:14][CH2:15][OH:16])[CH2:12][CH2:13]1.[CH3:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[CH:14][CH:15]=[O:16])[CH2:12][CH2:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-721cbcb5026445fca3c1612ff9412980
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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