Sodium ion → 5-n-Butyl-2,4-dihydro-4-[[2'-[N-(4-morpholinecarbonyl)sulfamoyl]biphenyl-4-yl]methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([S:34]([NH2:35])(=[O:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:7](=[O:20])[n:8](-[c:10]2[c:11]([C:16]([F:17])([F:18])[F:19])[cH:12][cH:13][cH:14][cH:15]2)[n:9]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[H-:38].[Na+:39].[O:40]1[CH2:41][CH2:42][N:43]([C:46](=[O:47])[Cl:48])[CH2:44][CH2:45]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([S:34]([NH:35][C:46]([N:43]4[CH2:42][CH2:41][O:40][CH2:45][CH2:44]4)=[O:47])(=[O:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:7](=[O:20])[n:8](-[c:10]2[c:11]([C:16]([F:17])([F:18])[F:19])[cH:12][cH:13][cH:14][cH:15]2)[n:9]1참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-be372a70d7da4771bf95233972cfaf8d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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