Nicotinic Acid → N-(5-bromo-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)nicotinamide

HRID 188008

Reaction equation

HRID 188008 reaction equation
[B-:10]([F:11])([F:12])([F:13])[F:14].[Br:41][c:42]1[cH:43][c:44]([NH2:54])[cH:45][n:46][c:47]1[O:48][CH2:49][C:50]([F:51])([F:52])[F:53].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1.[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][n:8][cH:9]1)[NH:54][c:44]1[cH:43][c:42]([Br:41])[c:47]([O:48][CH2:49][C:50]([F:51])([F:52])[F:53])[n:46][cH:45]1

Participants

7

Reactant 6

HCID 938Nicotinic AcidHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 672810445-Bromo-6-(2,2,2-trifluoroethoxy)-pyridin-3-ylamine

Product 1

HCID 67280716N-(5-bromo-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)nicotinamide

Sources & evidence

ORD record
ord-f5ce445a10f64de8ac496c3754d3d686
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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