Acetonitrile → HCID 178462539, compound

HRID 689597Notes

Reaction equation

HRID 689597 reaction equation
[CH3:31][C:32]#[N:33].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[n:19]1[c:20]([C:25]2=[CH:30][CH2:29][CH2:28][NH:27][CH2:26]2)[cH:21][cH:22][cH:23][cH:24]1>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[N:27]2[CH2:26][C:25]([c:20]3[n:19][cH:24][cH:23][cH:22][cH:21]3)=[CH:30][CH2:29][CH2:28]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 147064491-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazoleHCID 183280102-(1,2,5,6-Tetrahydropyridin-3-yl)pyridine

Product 1

HCID 178462539HCID 178462539, compound

Sources & evidence

ORD record
ord-151542141f94449f9bfcc767f1128707
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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