Water → HCID 18475285, compound

HRID 1127931Notes

Reaction equation

HRID 1127931 reaction equation
[CH2:18]([CH:19]([CH2:20][CH2:21][CH2:22][CH3:23])[C:24]([OH:25])=[O:26])[CH3:27].[CH3:1][CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]1[CH:10]([C:13](=[O:14])[O:15][CH3:16])[CH2:11][CH2:12]1.[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[OH2:17]>>[CH3:1][CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]1[CH:10]([C:13](=[O:14])[OH:15])[CH2:11][CH2:12]1

Participants

5

Reactant 4

HCID 962WaterHCID 86972-Ethylhexanoic AcidHCID 8900HeptaneHCID 22328394HCID 22328394, compound

Product 1

HCID 18475285HCID 18475285, compound

Sources & evidence

ORD record
ord-22c1add7059f43b29baac65135d13e1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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