Toluene → 1-Heptoxy-3,5-dimethylbenzene

HRID 167363

Reaction equation

HRID 167363 reaction equation
[C:18](=[O:19])([O-:20])[O-:21].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[OH:8].[CH3:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:9][c:10]1[cH:11][c:12]([I:17])[cH:13][c:14]([CH3:16])[cH:15]1.[Cs+:22].[Cs+:23].[Cu:36][I:37]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[O:8][c:12]1[cH:11][c:10]([CH3:9])[cH:15][c:14]([CH3:16])[cH:13]1

Participants

8

Reactant 7

HCID 1140TolueneHCID 8129HeptanolHCID 8182DodecaneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 104967Cesium cation2×HCID 1409241-Iodo-3,5-dimethylbenzene

Product 1

HCID 155310051-Heptoxy-3,5-dimethylbenzene

Sources & evidence

ORD record
ord-0766613f824b4aa0b773401d1841db5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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