Toluene → Tert-butyl 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 709533-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole

HCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate

생성물 1

HCID 18999108Tert-butyl 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

출처 및 근거

ORD 기록: ord-54c3e437fb4d4e73a3a1a735351e4822
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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