Hexane → HCID 23114408, compound

HRID 134762Notes

Reaction equation

HRID 134762 reaction equation
[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[OH:1][C:2]1([CH2:23][c:24]2[cH:25][cH:26][c:27]([CH:30]([CH3:31])[CH3:32])[cH:28][cH:29]2)[C:3]([CH3:21])([CH3:22])[O:4][c:5]2[c:6]1[cH:7][c:8]([NH:13][C:14]([CH2:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[c:9]([CH3:12])[c:10]2[CH3:11]>>[CH:2]1([CH2:23][c:24]2[cH:25][cH:26][c:27]([CH:30]([CH3:31])[CH3:32])[cH:28][cH:29]2)[C:3]([CH3:21])([CH3:22])[O:4][c:5]2[c:6]1[cH:7][c:8]([NH:13][C:14]([CH2:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[c:9]([CH3:12])[c:10]2[CH3:11]

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 23113901HCID 23113901, compound

Product 1

HCID 23114408HCID 23114408, compound

Sources & evidence

ORD record
ord-87c4dc8c8b7e41238873c26e0bb056db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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