Dimethylformamide → 3-[1-(5-Phenylethynyl-pyridine-3-carbonyl)-piperidin-4-yl]-benzonitrile

HRID 1540740Notes

Reaction equation

HRID 1540740 reaction equation
[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[NH:51]1[CH2:52][CH2:53][CH:54]([c:57]2[cH:58][c:59]([C:60]#[N:61])[cH:62][cH:63][cH:64]2)[CH2:55][CH2:56]1.[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[c:1]1([C:7]#[C:8][c:9]2[cH:10][c:11]([C:15](=[O:16])[OH:17])[cH:12][n:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[c:1]1([C:7]#[C:8][c:9]2[cH:10][c:11]([C:15](=[O:17])[N:51]3[CH2:52][CH2:53][CH:54]([c:57]4[cH:58][c:59]([C:60]#[N:61])[cH:62][cH:63][cH:64]4)[CH2:55][CH2:56]3)[cH:12][n:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27792365-(2-Phenyleth-1-Ynyl)Nicotinic AcidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 214481663-(Piperidin-4-yl)benzonitrile

Product 1

HCID 671944903-[1-(5-Phenylethynyl-pyridine-3-carbonyl)-piperidin-4-yl]-benzonitrile

Sources & evidence

ORD record
ord-8de0f749f507471d820bbf8d17993eb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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