Acetonitrile → 2-(N-(7-tert-Butyl-2,3-dihydro-3,3-dimethylbenzo[b]furan-5-yl)-amino)imidazoline
반응식
[CH3:26][C:27]#[N:28].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:12]1)[O:6][CH2:7][C:8]2([CH3:9])[CH3:10].[NH:17]1[C:18]([S:22]([OH:23])(=[O:24])=[O:25])=[N:19][CH2:20][CH2:21]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:12]1)[O:6][CH2:7][C:8]2([CH3:9])[CH3:10])[C:18]1=[N:17][CH2:21][CH2:20][NH:19]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-6233245329a34a6cbb3ff5a4a7e79576
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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