Phenyl[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone → 4-(4-Tert-butylphenyl)-3-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([C:25](=[O:26])[c:27]3[n:28][cH:29][cH:30][cH:31][cH:32]3)[cH:13][n:14][c:15]3[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][c:20]23)[cH:9][cH:10]1.[c:33]1([C:34]([c:35]2[cH:36][n:37][c:38]3[c:39]([c:40]2-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][c:50]3[C:51]([F:52])([F:53])[F:54])=[O:55])[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([CH2:25][c:27]3[n:28][cH:29][cH:30][cH:31][cH:32]3)[cH:13][n:14][c:15]3[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][c:20]23)[cH:9][cH:10]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a9f4285b8594425887adf5f17adb132e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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