Hexane → HCID 23114243, compound

HRID 167763Notes

Reaction equation

HRID 167763 reaction equation
[C:22]([O:23][CH2:25][CH3:26])(=[O:24])[CH3:27].[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[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]([CH3:21])[c:16]([NH2:20])[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]([CH3:21])[c:16]([NH:20][CH:22]=[O:24])[c:17]([CH3:19])[cH:18]3)[cH:8][cH:9]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 23114101HCID 23114101, compound

Product 1

HCID 23114243HCID 23114243, compound

Sources & evidence

ORD record
ord-bfd10745efcc4b4283346ed1817273ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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