Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate → (3-(3-Fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

반응식

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

참가 물질

반응물 2

HCID 651752Ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate

HCID 666533591-(4-(Azetidin-3-yloxy)-2-fluorobenzyl)pyrrolidine

생성물 1

HCID 56598125(3-(3-Fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

출처 및 근거

ORD 기록: ord-3ae44328c6c8469f929be738a8b67545
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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