Benzene → HCID 13770589, 화합물
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[CH3:13][CH:14]([C:15](=[O:16])[Cl:17])[CH2:18][CH2:19][Cl:20].[NH2:1][c:2]1[s:3][cH:4][c:5]([C:9]([CH3:10])([CH3:11])[CH3:12])[c:6]1[C:7]#[N:8].[cH:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[NH:1]([c:2]1[s:3][cH:4][c:5]([C:9]([CH3:10])([CH3:11])[CH3:12])[c:6]1[C:7]#[N:8])[C:15]([CH:14]([CH3:13])[CH2:18][CH2:19][Cl:20])=[O:16]참가 물질
4
출처 및 근거
- ORD 기록
- ord-30a207454b9b4eea81710d8d48a2eaaf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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