Chloride → HCID 68182062, compound

HRID 1544554Notes

Reaction equation

HRID 1544554 reaction equation
[Br:11][c:12]1[c:13](-[c:18]2[n:19][c:20]([CH3:28])[n:21]3[n:22][cH:23][nH:24][c:25](=[O:27])[c:26]23)[cH:14][n:15][n:16]1[CH3:17].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][C:48]#[N:49].[Cl-:38].[K+:34].[K+:35].[K+:36].[Na+:37].[OH2:39].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[P:6]([Cl:7])([Cl:8])([Cl:9])=[O:10].[nH:1]1[n:2][cH:3][n:4][cH:5]1>>[n:1]1(-[c:25]2[n:24][cH:23][n:22][n:21]3[c:20]([CH3:28])[n:19][c:18](-[c:13]4[c:12]([Br:11])[n:16]([CH3:17])[n:15][cH:14]4)[c:26]32)[n:2][cH:3][n:4][cH:5]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 813Potassium Cation3×HCID 923Sodium ionHCID 962WaterHCID 1061PhosphateHCID 6342AcetonitrileHCID 8471TriethylamineHCID 92571H-1,2,4-TriazoleHCID 24813Phosphorus oxychlorideHCID 1363502835-(5-bromo-1-methyl-1H-pyrazol-4-yl)-7-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one

Product 1

HCID 68182062HCID 68182062, compound

Sources & evidence

ORD record
ord-d17fb86fb31245378a031a76312ae7a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…