Toluene → 5-[3-(3,5-Dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]2-fluorobenzonitrile

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 27789282-Fluoro-5-iodobenzonitrile

HCID 582188803-(3,5-Dichlorophenyl)-3-(trifluoromethyl)pyrrolidine

생성물 1

HCID 582188895-[3-(3,5-Dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]2-fluorobenzonitrile

출처 및 근거

ORD 기록: ord-e271bf5b370943ad9716f9ebdd1bb4f6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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