4-Hydroxypyrrolidine → {3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl}(3-hydroxypyrrolidin-1-yl)methanone

반응식

[CH:1]1([c:4]2[n:5][o:6][c:7]([CH:9]3[CH2:10][N:11]([C:26]([O:28][c:27]4[cH:29][cH:30][c:31]([N+:32]([O-:33])=[O:34])[cH:35][cH:36]4)=[O:37])[CH2:12][CH:13]([c:15]4[cH:16][cH:17][c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]4)[CH2:14]3)[n:8]2)[CH2:2][CH2:3]1.[NH:38]1[CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]1>>[CH:1]1([c:4]2[n:5][o:6][c:7]([CH:9]3[CH2:10][N:11]([C:26](=[O:28])[N:38]4[CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]4)[CH2:12][CH:13]([c:15]4[cH:16][cH:17][c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]4)[CH2:14]3)[n:8]2)[CH2:2][CH2:3]1

참가 물질

반응물 2

HCID 982104-Hydroxypyrrolidine

HCID 580026324-Nitrophenyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxylate

생성물 1

HCID 58002509{3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl}(3-hydroxypyrrolidin-1-yl)methanone

출처 및 근거

ORD 기록: ord-a0aaa5217abf430e911668af49601486
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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