Acetonitrile → 4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide

HRID 1138059

Reaction equation

HRID 1138059 reaction equation
[Br:8][c:9]1[cH:10][cH:11][c:12]([O:15][c:16]2[cH:17][c:18]([CH:22]=[C:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:19][cH:20][cH:21]2)[n:13][cH:14]1.[CH3:54][C:55]#[N:56].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[n:29]1[cH:30][c:31]([NH:35][C:36]([O:37][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:38])[cH:32][cH:33][cH:34]1>>[Br:8][c:9]1[cH:10][cH:11][c:12]([O:15][c:16]2[cH:17][c:18]([CH:22]=[C:23]3[CH2:24][CH2:25][N:26]([C:36]([NH:35][c:31]4[cH:30][n:29][cH:34][cH:33][cH:32]4)=[O:37])[CH2:27][CH2:28]3)[cH:19][cH:20][cH:21]2)[n:13][cH:14]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 6935890Phenyl pyridin-3-ylcarbamateHCID 668761445-Bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine

Product 1

HCID 249637094-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide

Sources & evidence

ORD record
ord-12121b6afd7841098787f6b7ccf421bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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