Potassium Cation → 4-{[5-Oxo-4,4-bis-pyridin-4-ylmethyl-1-(2,6,6-trimethyl-bicyclo[3.1.1]hept-3-ylmethyl)-imidazolidin-2-ylidene]-acetyl}-benzonitrile

HRID 200945

Reaction equation

HRID 200945 reaction equation
[C:43](#[N:44])[c:45]1[cH:46][cH:47][c:48]([C:49]([CH2:50][Br:51])=[O:52])[cH:53][cH:54]1.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:33][Si:34]([N-:35][Si:36]([CH3:37])([CH3:38])[CH3:39])([CH3:40])[CH3:41].[K+:42].[N:60]#[N:61].[n:1]1[cH:2][cH:3][c:4]([CH2:7][C:8]2([CH2:26][c:27]3[cH:28][cH:29][n:30][cH:31][cH:32]3)[C:9](=[O:25])[N:10]([CH2:14][CH:15]3[CH:16]([CH3:24])[CH:17]4[C:18]([CH3:22])([CH3:23])[CH:19]([CH2:20]3)[CH2:21]4)[C:11](=[S:13])[NH:12]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][C:8]2([CH2:26][c:27]3[cH:28][cH:29][n:30][cH:31][cH:32]3)[C:9](=[O:25])[N:10]([CH2:14][CH:15]3[CH:16]([CH3:24])[CH:17]4[C:18]([CH3:22])([CH3:23])[CH:19]([CH2:20]3)[CH2:21]4)[C:11](=[CH:50][C:49]([c:48]3[cH:47][cH:46][c:45]([C:43]#[N:44])[cH:54][cH:53]3)=[O:52])[NH:12]2)[cH:5][cH:6]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 947NitrogenHCID 8028TetrahydrofuranHCID 986544-(Bromoacetyl)benzonitrileHCID 3280088Npc316347HCID 154627795,5-Bis-pyridin-4-ylmethyl-2-thioxo-3-(2,6,6-trimethyl-bicyclo[3.1.1]hept-3-ylmethyl)-imidazolidin-4-one

Product 1

HCID 700192994-{[5-Oxo-4,4-bis-pyridin-4-ylmethyl-1-(2,6,6-trimethyl-bicyclo[3.1.1]hept-3-ylmethyl)-imidazolidin-2-ylidene]-acetyl}-benzonitrile

Sources & evidence

ORD record
ord-130e0943cc134e79a0f92c1d60695039
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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