1,8-Diazabicyclo(5.4.0)undec-7-ene → [(Methylethyl)sulfonyl]{2-[3-(2-{[(methylethyl)sulfonyl]amino}ethyl)phenyl]propyl}amine
반응식
[CH2:27]1[CH2:28][CH2:29][C:30]2=[N:35][CH2:34][CH2:33][CH2:32][N:31]2[CH2:36][CH2:37]1.[CH:20]([CH3:21])([CH3:22])[S:23](=[O:24])(=[O:25])[Cl:26].[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]([CH:10]([CH2:11][NH:12][S:13](=[O:14])(=[O:15])[CH:16]([CH3:17])[CH3:18])[CH3:19])[cH:7][cH:8][cH:9]1>>[NH:1]([CH2:2][CH2:3][c:4]1[cH:5][c:6]([CH:10]([CH2:11][NH:12][S:13](=[O:14])(=[O:15])[CH:16]([CH3:17])[CH3:18])[CH3:19])[cH:7][cH:8][cH:9]1)[S:23]([CH:20]([CH3:21])[CH3:22])(=[O:24])=[O:25]참가 물질
4
출처 및 근거
- ORD 기록
- ord-d55fedbf463a4307a4edc31876644bdb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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