Hexane → HCID 22004925, compound

HRID 118899Notes

Reaction equation

HRID 118899 reaction equation
[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([CH2:31][OH:32])[c:6](-[c:16]2[c:17]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:18][c:19]([F:22])[cH:20][cH:21]2)[c:7]([CH2:13][CH2:14][CH3:15])[c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([CH:31]=[O:32])[c:6](-[c:16]2[c:17]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:18][c:19]([F:22])[cH:20][cH:21]2)[c:7]([CH2:13][CH2:14][CH3:15])[c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 22005268HCID 22005268, compound

Product 1

HCID 22004925HCID 22004925, compound

Sources & evidence

ORD record
ord-19153a32840349d39a63e9b56199f7d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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