1-Octanethiol → HCID 178443882, 화합물
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[C:12]([C:13]#[C:14][CH3:15])(=[O:16])[O:17][CH3:18].[CH2:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[SH:27].[CH2:1]1[CH2:2][CH2:3][C:4]2=[N:9][CH2:8][CH2:7][CH2:6][N:5]2[CH2:10][CH2:11]1>>[C:12]([CH:13]=[C:14]([CH3:15])[S:27][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])(=[O:16])[O:17][CH3:18]참가 물질
4
출처 및 근거
- ORD 기록
- ord-1946357f1a624dd2aeb584c8dda4d5f5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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