Ethanol → HCID 86598192, compound

HRID 160677Notes

Reaction equation

HRID 160677 reaction equation
[CH3:31][CH2:32][OH:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:6][O:7][C:8]([NH:9][CH2:10][c:11]1[n:12][n:13][n:14](-[c:16]2[cH:17][c:18]([F:29])[c:19]([N:22]3[CH2:23][CH2:24][C:25](=[O:28])[CH2:26][CH2:27]3)[cH:20][cH:21]2)[cH:15]1)=[S:30].[N:1]#[C:2][CH2:3][C:4]#[N:5]>>[N:1]#[C:2][C:3]([C:4]#[N:5])=[C:25]1[CH2:24][CH2:23][N:22]([c:19]2[c:18]([F:29])[cH:17][c:16](-[n:14]3[n:13][n:12][c:11]([CH2:10][NH:9][C:8]([O:7][CH3:6])=[S:30])[cH:15]3)[cH:21][cH:20]2)[CH2:27][CH2:26]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8010MalononitrileHCID 8857Ethyl AcetateHCID 20810181HCID 20810181, compound

Product 1

HCID 86598192HCID 86598192, compound

Sources & evidence

ORD record
ord-6bdf8867af844117a628c80dd99f5c5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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