Bromide ion → Anastrozole

HRID 1120345Notes

Reaction equation

HRID 1120345 reaction equation
[Br-:24].[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([CH2:9][Br:10])[cH:11][c:12]([C:14]([CH3:15])([CH3:16])[C:17]#[N:18])[cH:13]1.[CH2:25]([N+:26]([CH2:27][CH2:28][CH2:29][CH3:30])([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH3:41].[nH:19]1[n:20][cH:21][n:22][cH:23]1>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([CH2:9][n:19]2[n:20][cH:21][n:22][cH:23]2)[cH:11][c:12]([C:14]([CH3:15])([CH3:16])[C:17]#[N:18])[cH:13]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 92571H-1,2,4-TriazoleHCID 16028TetrabutylammoniumHCID 115223592,2'-(5-Bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)

Product 1

HCID 2187Anastrozole

Sources & evidence

ORD record
ord-1c82db7babe0475bb2464365ddce470b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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