Acetonitrile → Anastrozole

HRID 693124Notes

Reaction equation

HRID 693124 reaction equation
[CH3:24][C:25]#[N:26].[Cl:1][CH2:2][c:3]1[cH:4][c:5]([C:14]([C:15]#[N:16])([CH3:17])[CH3:18])[cH:6][c:7]([C:9]([C:10]#[N:11])([CH3:12])[CH3:13])[cH:8]1.[nH:19]1[n:20][cH:21][n:22][cH:23]1>>[CH2:2]([c:3]1[cH:4][c:5]([C:14]([C:15]#[N:16])([CH3:17])[CH3:18])[cH:6][c:7]([C:9]([C:10]#[N:11])([CH3:12])[CH3:13])[cH:8]1)[n:19]1[n:20][cH:21][n:22][cH:23]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 92571H-1,2,4-TriazoleHCID 193493842-(3-(Chloromethyl)-5-(2-cyanopropan-2-yl)phenyl)-2-methylpropanenitrile

Product 1

HCID 2187Anastrozole

Sources & evidence

ORD record
ord-181c64ce888d4f9eb1268180a96fd966
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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