Acetonitrile → 1-({5-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-2-propyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
반응식
[C:40](=[O:41])([O-:42])[O-:43].[CH2:1]([CH2:2][CH3:3])[c:4]1[nH:5][c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1.[CH3:46][C:47]#[N:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cs+:44].[Cs+:45].[F:19][C:20]([c:21]1[cH:22][c:23](-[c:31]2[n:32][c:33]([CH2:36][Cl:37])[n:34][o:35]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:38])[F:39]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5]([CH2:36][c:33]2[n:32][c:31](-[c:23]3[cH:22][c:21]([C:20]([F:19])([F:38])[F:39])[cH:26][c:25]([C:27]([F:28])([F:29])[F:30])[cH:24]3)[o:35][n:34]2)[c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-f334617f18504c81bd3c9d2a4b73143c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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