Water → Diisopropylethylamine

HRID 1557602Notes

Reaction equation

HRID 1557602 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[CH:15]3[C:16](=[O:21])[O:17][CH:18]([CH2:19]2)[CH2:20]3)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[CH:22]([CH3:23])([CH3:24])[N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30].[OH2:31]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[CH:15]([C:16]([OH:21])=[O:31])[CH2:20][CH:18]([OH:17])[CH2:19]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[CH:22]([CH3:23])([CH3:24])[N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30]

Participants

5

Reactant 3

HCID 962WaterHCID 81531DiisopropylethylamineHCID 668704341-[(3-Oxo-2-oxa-bicyclo[2.2.1]heptane-5-carbonyl)-amino]-2-vinyl-cyclo-propane carboxylic acid ethyl ester

Product 2

HCID 81531DiisopropylethylamineHCID 668702722-[(2-Ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid

Sources & evidence

ORD record
ord-e7dc18cdbe5c4e20a76cc1d194a09364
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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