Ammonium → Tert-butyl 4-(4-cyanophenyl)-4-hydroxy-2-oxobut-3-enoate

HRID 686072Notes

Reaction equation

HRID 686072 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8]#[N:9])[cH:10][cH:11]1.[C:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])(=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35].[CH3:12][Si:13]([N-:14][Si:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20].[CH3:43][CH2:44][O:45][CH2:46][CH3:47].[Cl-:36].[NH4+:37].[Na+:21].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[C:1](=[CH:2][C:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])([OH:3])[c:4]1[cH:5][cH:6][c:7]([C:8]#[N:9])[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 69651Di-tert-butyl oxalateHCID 740444'-CyanoacetophenoneHCID 3280088Npc316347

Product 1

HCID 67357327Tert-butyl 4-(4-cyanophenyl)-4-hydroxy-2-oxobut-3-enoate

Sources & evidence

ORD record
ord-a08019d7781941d593d488502882896b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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