Ethyl Acetate → 2-Amino-4-(3-aminophenyl)-6-(2-{[tert-butyl(dimethyl)silyl]oxy}phenyl)nicotinonitrile
반응식
[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6](-[c:24]2[cH:25][c:26]([N+:30]([O-:31])=[O:32])[cH:27][cH:28][cH:29]2)[cH:7][c:8](-[c:10]2[c:11]([O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])[cH:12][cH:13][cH:14][cH:15]2)[n:9]1>>[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6](-[c:24]2[cH:25][c:26]([NH2:30])[cH:27][cH:28][cH:29]2)[cH:7][c:8](-[c:10]2[c:11]([O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])[cH:12][cH:13][cH:14][cH:15]2)[n:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-e19a40630ddb4e54b129d6bb64d98dca
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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