Acrylonitrile → HCID 24859230, compound

HRID 1229774Notes

Reaction equation

HRID 1229774 reaction equation
[CH2:26]=[CH:27][C:28]#[N:29].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[CH:1]1([N:4]([C:5]([c:6]2[cH:7][cH:8][c:9]([C:12]([C:13]([F:14])([F:15])[F:16])([CH3:17])[OH:18])[cH:10][cH:11]2)=[O:19])[CH:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[CH2:2][CH2:3]1>>[CH:1]1([N:4]([C:5]([c:6]2[cH:7][cH:8][c:9]([C:12]([C:13]([F:14])([F:15])[F:16])([CH3:17])[OH:18])[cH:10][cH:11]2)=[O:19])[CH:20]2[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][C:28]#[N:29])[CH2:24][CH2:25]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 7855AcrylonitrileHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 68428683HCID 68428683, compound

Product 1

HCID 24859230HCID 24859230, compound

Sources & evidence

ORD record
ord-902e4c3ecc304cb3a80ae1377d28ebca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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