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Sodium Ion → 2-[4-[2-Oxo-6-(3-oxo-4-phenylbut-1-enyl)piperidin-1-yl]but-2-ynoxy]acetonitrile

HRID 171508
Notes
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Reaction equation

HRID 171508 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH:19](=[O:20])[CH:21]1[N:22]([CH2:28][C:29]#[C:30][CH2:31][O:32][CH2:33][C:34]#[N:35])[C:23](=[O:27])[CH2:24][CH2:25][CH2:26]1.[H-:1].[Na+:2].[O:3]=[C:4]([CH2:5][P:6](=[O:7])([O:8][CH3:9])[O:10][CH3:11])[CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[O:3]=[C:4]([CH:5]=[CH:19][CH:21]1[N:22]([CH2:28][C:29]#[C:30][CH2:31][O:32][CH2:33][C:34]#[N:35])[C:23](=[O:27])[CH2:24][CH2:25][CH2:26]1)[CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 166653HydrideHCID 12805884Dimethyl-2-oxo-3-phenylpropyl phosphonateHCID 876605362-[4-(2-Formyl-6-oxopiperidin-1-yl)but-2-ynoxy]acetonitrile

Product 1

HCID 690208982-[4-[2-Oxo-6-(3-oxo-4-phenylbut-1-enyl)piperidin-1-yl]but-2-ynoxy]acetonitrile

Sources & evidence

ORD record
ord-cb43e2a64f9b45f7a10c3e7b6f4d2701
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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