Nitrogen → 4-Hex-3-ynyl-2,2-dimethyl-1,3-dioxolane

HRID 2125495Notes

Reaction equation

HRID 2125495 reaction equation
[CH2:16]([Li:17])[CH2:18][CH2:19][CH3:20].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][C:2]#[C:3][CH3:4].[CH3:31][C:32]1([CH3:33])[O:34][CH:35]([CH2:36][CH2:37][OH:38])[CH2:39][O:40]1.[CH3:5][N:6]1[CH2:7][CH2:8][CH2:9][N:10]([CH3:11])[C:12]1=[O:13].[I:21][CH2:22][CH2:23][CH:24]1[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH2:28]1.[N:14]#[N:15]>>[C:1](#[C:2][CH2:3][CH3:4])[CH2:22][CH2:23][CH:24]1[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH2:28]1

Participants

8

Reactant 7

HCID 947NitrogenHCID 8028TetrahydrofuranHCID 10419DimethylacetyleneHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 42197542-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethan-1-olHCID 134334564-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolaneHCID 178418339Butyllithium

Product 1

HCID 690638554-Hex-3-ynyl-2,2-dimethyl-1,3-dioxolane

Sources & evidence

ORD record
ord-ee61ff8ee4cf4de5955ce17461977e16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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