Benzene → HCID 12962151, compound

HRID 1119957Notes

Reaction equation

HRID 1119957 reaction equation
[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[Cl:1][CH:2]1[c:3]2[c:4]([cH:13][cH:14][c:15]([O:17][CH3:18])[cH:16]2)[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[Cu:19][C:20]#[N:21].[cH:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH:2]1([C:20]#[N:21])[c:3]2[c:4]([cH:13][cH:14][c:15]([O:17][CH3:18])[cH:16]2)[O:5][CH2:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

Participants

5

Reactant 4

HCID 241BenzeneHCID 8058HexaneHCID 12962150HCID 12962150, compoundHCID 178418546HCID 178418546, compound

Product 1

HCID 12962151HCID 12962151, compound

Sources & evidence

ORD record
ord-817aaa33f1c7484eaa91b5b6636fe899
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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