Chloride → 2-(2-Methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl)oxyoxane

HRID 1135501Notes

Reaction equation

HRID 1135501 reaction equation
[Br:1][CH2:2][Br:3].[C:37](=[O:38])([OH:39])[O-:40].[CH2:21]([c:22]1[cH:23][cH:24][c:25]([CH3:26])[c:27]([OH:28])[c:29]1[CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH3:36].[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[Cl-:46].[Cl-:47].[Cl-:48].[Cl-:49].[Cl:42][CH2:43][Cl:44].[Na+:41].[O:4]1[CH:5]([O:10][CH:11]2[C:12]([CH3:20])=[C:13]([CH2:17][C:18]#[CH:19])[C:14](=[O:16])[CH2:15]2)[CH2:6][CH2:7][CH2:8][CH2:9]1.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:51].[Ti+4:50].[Zn:45]>>[O:4]1[CH:5]([O:10][CH:11]2[C:12]([CH3:20])=[C:13]([CH2:17][C:18]#[CH:19])[C:14](=[CH2:21])[CH2:15]2)[CH2:6][CH2:7][CH2:8][CH2:9]1

Participants

13

Reactant 12

HCID 312Chloride4×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 3024DibromomethaneHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8058HexaneHCID 23994ZincHCID 114942Titanium cation (4+)HCID 194286523-Methyl-4-(oxan-2-yloxy)-2-prop-2-ynylcyclopent-2-en-1-oneHCID 20226228Dibutylhydroxy toluene

Product 1

HCID 194286452-(2-Methyl-4-methylidene-3-prop-2-ynylcyclopent-2-en-1-yl)oxyoxane

Sources & evidence

ORD record
ord-6d2e39cf83d84cb4ba3dc04c3b067ba2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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