Hexahydro-1,4-diazepine → 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid
반응식
[F:1][c:2]1[c:3]([S:11](=[O:12])(=[O:13])[OH:14])[cH:4][c:5]([CH2:8][CH2:9][CH3:10])[cH:6][cH:7]1.[NH:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH2:21]1>>[c:2]1([N:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH2:21]2)[c:3]([S:11](=[O:12])(=[O:13])[OH:14])[cH:4][c:5]([CH2:8][CH2:9][CH3:10])[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-79fe3fa8c400416999c036e3c7513044
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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