Hexane → HCID 86612353, compound

HRID 202454Notes

Reaction equation

HRID 202454 reaction equation
[C:24]([O:25][CH2:27][CH3:28])(=[O:26])[CH3:29].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:23])[c:16]([NH:20][CH:21]=[O:22])[c:17]([CH3:19])[cH:18]3)[cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:23])[c:16]([NH:20][CH:21]=[O:22])[c:17]([CH3:19])[c:18]3[CH:24]=[O:26])[cH:8][cH:9]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 23114243HCID 23114243, compound

Product 1

HCID 86612353HCID 86612353, compound

Sources & evidence

ORD record
ord-7e54062ad55c47e589feaea6d28c8ba4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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