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

반응식

[CH2:1]([CH3:2])[c:3]1[nH:4][c:5]2[cH:6][cH:7][c:8]([C:16]#[N:17])[c:9]([C:12]([F:13])([F:14])[F:15])[c:10]2[cH:11]1.[Cl:18][CH2:19][c:20]1[n:21][o:22][c:23](-[c:25]2[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]2)[n:24]1>>[CH2:1]([CH3:2])[c:3]1[n:4]([CH2:19][c:20]2[n:21][o:22][c:23](-[c:25]3[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]3)[n:24]2)[c:5]2[cH:6][cH:7][c:8]([C:16]#[N:17])[c:9]([C:12]([F:13])([F:14])[F:15])[c:10]2[cH:11]1

참가 물질

반응물 2

HCID 27366223-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

HCID 674038192-ethyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

생성물 1

HCID 866206712-Ethyl-4-(trifluoromethyl)-1-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-1H-indole-5-carbonitrile

출처 및 근거

ORD 기록: ord-af19c7ba6e894faea735d1abc4e73440
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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