Hexane → HCID 22005146, compound

HRID 1546165Notes

Reaction equation

HRID 1546165 reaction equation
[C:34]([O:35][CH2:36][CH3:37])(=[O:38])[CH3:39].[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:25]([CH3:26])[CH3:27])[c:7]([CH:20]=[CH:21][CH2:22][CH2:23][CH3:24])[c:8](-[c:12]2[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:25]([CH3:26])[CH3:27])[c:7]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[c:8](-[c:12]2[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 54517473HCID 54517473, compound

Product 1

HCID 22005146HCID 22005146, compound

Sources & evidence

ORD record
ord-63c65aa78cd94eee961e030ffa8c5202
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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