Toluene → 1-[[3,5-di(propan-2-yloxy)phenoxy]methyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

HRID 2332722Notes

Reaction equation

HRID 2332722 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cs+:37].[Cs+:38].[Cu:54][I:55].[I:1][c:2]1[cH:3][c:4]([O:12][CH:13]([CH3:14])[CH3:15])[cH:5][c:6]([O:8][CH:9]([CH3:10])[CH3:11])[cH:7]1.[OH:16][CH2:17][CH:18]1[C:19]([OH:31])([CH3:32])[CH2:20][CH2:21][CH:22]2[C:23]([CH3:29])([CH3:30])[CH2:24][CH2:25][CH2:26][C:27]12[CH3:28]>>[c:2]1([O:16][CH2:17][CH:18]2[C:19]([OH:31])([CH3:32])[CH2:20][CH2:21][CH:22]3[C:23]([CH3:29])([CH3:30])[CH2:24][CH2:25][CH2:26][C:27]23[CH3:28])[cH:3][c:4]([O:12][CH:13]([CH3:14])[CH3:15])[cH:5][c:6]([O:8][CH:9]([CH3:10])[CH3:11])[cH:7]1

Participants

9

Reactant 8

HCID 1140TolueneHCID 8150DiglymeHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 31225131-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-olHCID 582948161-Iodo-3,5-bis(propan-2-yloxy)benzene

Product 1

HCID 767443571-[[3,5-di(propan-2-yloxy)phenoxy]methyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

Sources & evidence

ORD record
ord-9ddb9965e56042e1ba6e986ec03028e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…