Ammonium → 1-[4-(t-Butyldimethylsilyl)oxy-2,6,6-trimethylcyclohex-1-enyl]pent-1-en-3-one

HRID 1145725Notes

Reaction equation

HRID 1145725 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[Si:25]([O:26][CH:27]1[CH2:28][C:29]([CH3:40])=[C:30]([CH:35]=[CH:36][C:37]([CH3:38])=[O:39])[C:31]([CH3:33])([CH3:34])[CH2:32]1)([CH3:41])[CH3:42].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:14][CH:15]([N-:16][CH:17]([CH3:18])[CH3:19])[CH3:20].[CH3:43][I:44].[CH3:52][N:53]([CH3:54])[P:55](=[O:56])([N:57]([CH3:58])[CH3:59])[N:60]([CH3:61])[CH3:62].[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:45].[Li+:13].[NH4+:46]>>[CH3:1][CH2:38][C:37]([CH:36]=[CH:35][C:30]1=[C:29]([CH3:40])[CH2:28][CH:27]([O:26][Si:25]([C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:41])[CH3:42])[CH2:32][C:31]1([CH3:33])[CH3:34])=[O:39]

Participants

12

Reactant 11

HCID 223AmmoniumHCID 312ChlorideHCID 6328Methyl iodideHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 12679HexamethylphosphoramideHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 541718584-[4-(t-Butyldimethylsilyl)oxy-2,6,6-trimethylcyclohex-1-enyl]but-3-en-2-oneHCID 178418339Butyllithium

Product 1

HCID 545626981-[4-(t-Butyldimethylsilyl)oxy-2,6,6-trimethylcyclohex-1-enyl]pent-1-en-3-one

Sources & evidence

ORD record
ord-9bca03ca84354d22a22191585cfe315a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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