Pyridine → 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-[3-[1-(phenylsulfonyl)-1H-indol-3-yl]-1-piperazinyl]-3-quinolinecarboxylic acid
반응식
[CH2:25]([CH3:26])[n:27]1[cH:28][c:29]([C:40](=[O:41])[OH:42])[c:30](=[O:39])[c:31]2[cH:32][c:33]([F:38])[c:34]([F:37])[cH:35][c:36]12.[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH:19]3[NH:20][CH2:21][CH2:22][NH:23][CH2:24]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([CH:19]3[NH:20][CH2:21][CH2:22][N:23]([c:34]4[c:33]([F:38])[cH:32][c:31]5[c:30](=[O:39])[c:29]([C:40](=[O:41])[OH:42])[cH:28][n:27]([CH2:25][CH3:26])[c:36]5[cH:35]4)[CH2:24]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-3f5a3abac8554b8eb896f01d8302a00a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
- DOI