2-Octyn-1-amine → HCID 136353511, 화합물
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[CH2:22]([C:23]#[C:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[NH2:30].[Cl:1][c:2]1[c:3]([C:18]([F:19])([F:20])[F:21])[cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]2[n:7][c:8]([C:11]([F:12])([F:13])[F:14])[nH:9][c:10]12>>[c:2]1([NH:30][CH2:22][C:23]#[C:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[c:3]([C:18]([F:19])([F:20])[F:21])[cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]2[n:7][c:8]([C:11]([F:12])([F:13])[F:14])[nH:9][c:10]12참가 물질
3
출처 및 근거
- ORD 기록
- ord-43bfc13d9af64e08ab2cc31ae9486b09
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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