Hexane → HCID 22005003, compound

HRID 1149660Notes

Reaction equation

HRID 1149660 reaction equation
[C:33]([O:34][CH2:35][CH3:36])(=[O:37])[CH3:38].[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:24]([CH3:25])[CH3:26])[c:7]([CH:18]=[CH:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:8](-[c:12]2[cH:13][cH:14][cH:15][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:24]([CH3:25])[CH3:26])[c:7]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[c:8](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 53685143HCID 53685143, compound

Product 1

HCID 22005003HCID 22005003, compound

Sources & evidence

ORD record
ord-8306dd21333a406884ce8e607a91a7f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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