N-Benzylnormechlorethamine → 1-Benzyl-4-[4-(3-methyl-butoxy)-benzenesulfonyl]-piperidine-4-carboxylic acid ethyl ester
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])[cH:13][cH:14]1)=[O:21].[Cl:22][CH2:23][CH2:24][N:25]([CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH2:33][CH2:34][Cl:35]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])[cH:13][cH:14]2)[CH2:23][CH2:24][N:25]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:33][CH2:34]1)=[O:21]참가 물질
3
출처 및 근거
- ORD 기록
- ord-f204b13b7f1c4318a99364447adf005d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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