1-(Ethanesulfonyl)piperazine → HCID 178477707, 화합물
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[CH2:35]([CH3:36])[S:37](=[O:38])(=[O:39])[N:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:23]3[c:24]([O:31][CH:32]([CH3:33])[CH3:34])[cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[N:11]([C:20](=[O:21])[Cl:22])[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:23]3[c:24]([O:31][CH:32]([CH3:33])[CH3:34])[cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[N:11]([C:20](=[O:21])[N:43]3[CH2:42][CH2:41][N:40]([S:37]([CH2:35][CH3:36])(=[O:38])=[O:39])[CH2:45][CH2:44]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-fc455761097f46ab8e932c85a013026e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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