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Potassium Cation → tert-Butyl 4-(3-fluoro-5-(5-(trifluoromethyl)pyridin-2-yloxy)benzylidene)piperidine-1-carboxylate

HRID 1153278
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HRID 1153278 반응식
[Br:1][CH:2]=[C:3]1[CH2:4][CH2:5][N:6]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:7][CH2:8]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[F:16][c:17]1[cH:18][c:19]([B:34]([OH:35])[OH:36])[cH:20][c:21]([O:23][c:24]2[n:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:22]1.[K+:42].[K+:43].[K+:44].[OH2:45].[P:37]([O-:38])([O-:39])([O-:40])=[O:41]>>[CH:2](=[C:3]1[CH2:4][CH2:5][N:6]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:7][CH2:8]1)[c:19]1[cH:18][c:17]([F:16])[cH:22][c:21]([O:23][c:24]2[n:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:20]1
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반응물 6

HCID 813Potassium Cation3회HCID 962WaterHCID 1061PhosphateHCID 8028TetrahydrofuranHCID 45489892tert-Butyl 4-(bromomethylidene)piperidine-1-carboxylateHCID 66876242HCID 66876242, 화합물

생성물 1

HCID 66877003
tert-Butyl 4-(3-fluoro-5-(5-(trifluoromethyl)pyridin-2-yloxy)benzylidene)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-49aefc1dbc8e401683f4900ccc131d9d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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