Acetate → 2-(2,4-Dimethylbenzyloxy)ethyl methyl ether

HRID 1129125Notes

Reaction equation

HRID 1129125 reaction equation
[Br:1][c:2]1[c:3]([CH3:9])[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[C:16](=[O:17])([O-:18])[O-:19].[CH2:10]1[CH2:11][O:12][CH2:13][CH2:14][O:15]1.[CH3:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65].[CH:22]1([P:23]([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2-[c:36]2[c:37]([O:38][CH3:39])[cH:40][cH:41][cH:42][c:43]2[O:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cs+:20].[Cs+:21].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[OH2:66].[Pd+2:51]>>[c:2]1([CH2:14][O:15][CH2:10][CH2:11][O:12][CH3:13])[c:3]([CH3:9])[cH:4][c:5]([CH3:8])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 8058HexaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 68503Benzene, 1-bromo-2,4-dimethyl-HCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

Product 1

HCID 592597232-(2,4-Dimethylbenzyloxy)ethyl methyl ether

Sources & evidence

ORD record
ord-125ec3f7448346c2821c7c0fd273b285
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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