Water → 2-(2-(bromomethyl)phenyl)-4-(4-chlorobenzyl)-6-methoxy-1,2,4-triazine-3,5(2H,4H)-dione

HRID 320792Notes

Reaction equation

HRID 320792 reaction equation
[CH3:31][C:32]#[N:33].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8](=[O:24])[n:9](-[c:16]3[c:17]([CH2:22][OH:23])[cH:18][cH:19][cH:20][cH:21]3)[n:10][c:11]([O:14][CH3:15])[c:12]2=[O:13])[cH:25][cH:26]1.[OH2:34].[P:27]([Br:28])([Br:29])[Br:30]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8](=[O:24])[n:9](-[c:16]3[c:17]([CH2:22][Br:28])[cH:18][cH:19][cH:20][cH:21]3)[n:10][c:11]([O:14][CH3:15])[c:12]2=[O:13])[cH:25][cH:26]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 24614Phosphorus tribromideHCID 686995764-(4-chlorobenzyl)-2-(2-(hydroxymethyl)phenyl)-6-methoxy-1,2,4-triazine-3,5(2H,4H)-dione

Product 1

HCID 686977962-(2-(bromomethyl)phenyl)-4-(4-chlorobenzyl)-6-methoxy-1,2,4-triazine-3,5(2H,4H)-dione

Sources & evidence

ORD record
ord-bab5fbc52777495892ff41c9573c502e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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