Calcium Cation → 5-[[5-(3-Ethyl-3-methyloxiranyl)-3-methyl-2-pentenyl]oxy]-1,3-benzodioxole

HRID 2130219Notes

Reaction equation

HRID 2130219 reaction equation
[CH2:38]([O:39][CH2:40][CH3:41])[CH3:42].[CH2:49]([Cl:50])[Cl:51].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:4][C:5](=[CH:6][CH2:7][O:8][c:9]1[cH:10][c:11]2[c:12]([cH:13][cH:14]1)[O:15][CH2:16][O:17]2)[CH2:18][CH2:19][CH:20]=[C:21]([CH2:22][CH3:23])[CH3:24].[Ca+2:2].[Cl-:1].[Cl-:3].[Cl:25][c:26]1[cH:27][cH:28][cH:29][c:30]([C:31]([O:32][OH:34])=[O:33])[cH:35]1.[Na+:37].[OH-:36]>>[CH3:4][C:5](=[CH:6][CH2:7][O:8][c:9]1[cH:10][c:11]2[c:12]([cH:13][cH:14]1)[O:15][CH2:16][O:17]2)[CH2:18][CH2:19][CH:20]1[C:21]([CH2:22][CH3:23])([CH3:24])[O:33]1

Participants

10

Reactant 9

HCID 271Calcium CationHCID 312Chloride2×HCID 923Sodium ionHCID 961HydroxideHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 8058HexaneHCID 70297m-Chloroperbenzoic acidHCID 53917791HCID 53917791, compound

Product 1

HCID 305245-[[5-(3-Ethyl-3-methyloxiranyl)-3-methyl-2-pentenyl]oxy]-1,3-benzodioxole

Sources & evidence

ORD record
ord-9578611cd69644769e79c8be2b2d721c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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