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Potassium Cation → Tert-butyl 4-(2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-fluoroquinolin-8-yloxy)-3,3-difluoropiperidine-1-carboxylate

HRID 1220501
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HRID 1220501 반응식
[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[CH3:17][C:18]([CH3:19])([O-:20])[CH3:21].[F:1][C:2]1([F:16])[CH2:3][N:4]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:5][CH2:6][CH:7]1[OH:8].[K+:22].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[n:28]1[n:29][c:30](-[c:37]2[n:38][c:39]3[c:40]([F:48])[cH:41][c:42]([F:47])[cH:43][c:44]3[cH:45][cH:46]2)[n:31]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2>>[F:1][C:2]1([F:16])[CH2:3][N:4]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:5][CH2:6][CH:7]1[O:8][c:40]1[c:39]2[n:38][c:37](-[c:30]3[n:29][n:28][c:32]4[n:31]3[cH:36][cH:35][cH:34][cH:33]4)[cH:46][cH:45][c:44]2[cH:43][c:42]([F:47])[cH:41]1
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HCID 813Potassium CationHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 56932106tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylateHCID 672304752-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)-6,8-difluoroquinoline

생성물 1

HCID 67234219
Tert-butyl 4-(2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-fluoroquinolin-8-yloxy)-3,3-difluoropiperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-49e5437367d04d1aa82bdde2806c6ae6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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