2-Methyl-5-piperazin-1-yl-quinoline → 5-{4-[2-(3-Bromophenyl)ethyl]-1-piperazinyl}-2-methylquinoline
반응식
[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][c:20]4[cH:21][c:22]([N+:26]([O-:27])=[O:28])[cH:23][cH:24][cH:25]4)[CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1.[CH3:29][c:30]1[cH:31][cH:32][c:33]2[c:34]([cH:35][cH:36][cH:37][c:38]2[N:39]2[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[n:45]1.[CH3:46][S:47]([O:48][CH2:49][CH2:50][c:51]1[cH:52][cH:53][cH:54][c:55]([Br:59])[cH:56]1)(=[O:57])=[O:58]>>[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][c:20]4[cH:21][c:22]([Br:59])[cH:23][cH:24][cH:25]4)[CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-be7727ae130e42a885e90a6655c5daab
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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