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Dimethyl Sulfoxide → 4-(3-bromo-5-(5-(trifluoromethyl)pyridin-2-yloxy)benzylidene)-N-(pyridin-3-yl)piperidine-1-carboxamide

HRID 201154
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HRID 201154 반응식
[Br:1][c:2]1[cH:3][c:4]([O:5][c:6]2[n:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]2)[cH:16][c:17]([CH:19]=[C:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[cH:18]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][S:50]([CH3:51])=[O:52].[OH2:53].[n:26]1[cH:27][c:28]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[cH:29][cH:30][cH:31]1>>[Br:1][c:2]1[cH:3][c:4]([O:5][c:6]2[n:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]2)[cH:16][c:17]([CH:19]=[C:20]2[CH2:21][CH2:22][N:23]([C:33]([NH:32][c:28]3[cH:27][n:26][cH:31][cH:30][cH:29]3)=[O:34])[CH2:24][CH2:25]2)[cH:18]1
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반응물 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8471TriethylamineHCID 6935890Phenyl pyridin-3-ylcarbamateHCID 668769892-(3-Bromo-5-(piperidin-4-ylidenemethyl)phenoxy)-5-(trifluoromethyl)pyridine

생성물 1

HCID 249679954-(3-bromo-5-(5-(trifluoromethyl)pyridin-2-yloxy)benzylidene)-N-(pyridin-3-yl)piperidine-1-carboxamide

출처 및 근거

ORD 기록
ord-8f8ad7d0fd504cff8f81d17b4d5bcb43
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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