4-[N-(2-isopropyloxyethyl)-N-chloroacetylamino]benzoyl chloride → 1-{4-[N-(2-isopropyloxyethyl)-N-chloroacetylamino]benzoyl}-4-[2-(4-methylmercaptophenyl)ethyl]piperazine
반응식
[CH3:21][S:22][c:23]1[cH:24][cH:25][c:26]([CH2:29][CH2:30][N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:27][cH:28]1.[CH:1]([CH3:2])([CH3:3])[O:4][CH2:5][CH2:6][N:7]([C:8]([CH2:9][Cl:10])=[O:11])[c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[Cl:18])[cH:19][cH:20]1>>[CH:1]([CH3:2])([CH3:3])[O:4][CH2:5][CH2:6][N:7]([C:8]([CH2:9][Cl:10])=[O:11])[c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[N:34]2[CH2:33][CH2:32][N:31]([CH2:30][CH2:29][c:26]3[cH:25][cH:24][c:23]([S:22][CH3:21])[cH:28][cH:27]3)[CH2:36][CH2:35]2)[cH:19][cH:20]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-3cd155d432c6475a8c586e657fec395c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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