Diisopropylamine → Methyl 4-(2-benzyloxyphenyl)-2-(cyclohexylcarbonyl)butyrate

HRID 202189Notes

Reaction equation

HRID 202189 reaction equation
[CH2:16]([Li:17])[CH2:18][CH2:19][CH3:20].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][c:29]1[c:30]([CH2:35][CH2:36][CH2:37][C:38](=[O:39])[O:40][CH3:41])[cH:31][cH:32][cH:33][cH:34]1.[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:42]1([C:48](=[O:49])[Cl:50])[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[CH:9]([NH:10][CH:11]([CH3:12])[CH3:13])([CH3:14])[CH3:15].[Li+:8].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][c:29]1[c:30]([CH2:35][CH2:36][CH:37]([C:38](=[O:39])[O:40][CH3:41])[C:48]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)=[O:49])[cH:31][cH:32][cH:33][cH:34]1

Participants

9

Reactant 8

HCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 28486Lithium ionHCID 75938Cyclohexanecarbonyl chlorideHCID 5062348DiisopropylamideHCID 22012370Methyl 4-(2-benzyloxyphenyl)butyrateHCID 178418339Butyllithium

Product 1

HCID 22012461Methyl 4-(2-benzyloxyphenyl)-2-(cyclohexylcarbonyl)butyrate

Sources & evidence

ORD record
ord-1353b7c72a5340b28b8cd026c96d49bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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