Hexane → HCID 23113856, compound

HRID 120277Notes

Reaction equation

HRID 120277 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][CH:2]([CH2:3][CH3:4])[c:5]1[c:6]([CH3:32])[c:7]([NH:24][C:25]([CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[c:8]([CH3:23])[c:9]2[c:13]1[O:12][CH2:11][CH:10]2[c:14]1[cH:15][cH:16][c:17]([CH:20]([CH3:21])[CH3:22])[cH:18][cH:19]1>>[CH2:2]([CH2:3][CH3:4])[c:5]1[c:6]([CH3:32])[c:7]([NH:24][C:25]([CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[c:8]([CH3:23])[c:9]2[c:13]1[O:12][CH2:11][CH:10]2[c:14]1[cH:15][cH:16][c:17]([CH:20]([CH3:21])[CH3:22])[cH:18][cH:19]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 23114244HCID 23114244, compound

Product 1

HCID 23113856HCID 23113856, compound

Sources & evidence

ORD record
ord-c7e0e3315e014dfebc704230f9453bb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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