3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole → 2-(2-Methylpropyl)-4-(trifluoromethyl)-1-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-1H-indole-5-carbonitrile

HRID 297792

반응식

HRID 297792 반응식
[CH3:1][CH:2]([CH2:3][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)[CH3:19].[F:20][C:21]([c:22]1[cH:23][c:24](-[c:28]2[n:29][c:30]([CH2:33][Cl:34])[n:31][o:32]2)[cH:25][cH:26][cH:27]1)([F:35])[F:36]>>[CH3:1][CH:2]([CH2:3][c:4]1[n:5]([CH2:33][c:30]2[n:29][c:28](-[c:24]3[cH:23][c:22]([C:21]([F:20])([F:35])[F:36])[cH:27][cH:26][cH:25]3)[o:32][n:31]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]1)[CH3:19]

참가 물질

3

반응물 2

HCID 27366223-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleHCID 674051962-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrile

생성물 1

HCID 866206782-(2-Methylpropyl)-4-(trifluoromethyl)-1-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-1H-indole-5-carbonitrile

출처 및 근거

ORD 기록
ord-de5688b7b4634236aaf407d3c8b4852b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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