Water → 5-(5-bromo-1-methyl-1H-pyrazol-4-yl)-4-chloro-7-methylimidazo[5,1-f][1,2,4]triazine

HRID 301562

Reaction equation

HRID 301562 reaction equation
[Br:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([CH3:18])[n:11]3[n:12][cH:13][nH:14][c:15](=[O:17])[c:16]23)[cH:4][n:5][n:6]1[CH3:7].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:47][CH2:48][Cl:49].[OH2:50].[P:19]([Cl:20])([Cl:21])([Cl:22])=[O:23]>>[Br:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([CH3:18])[n:11]3[n:12][cH:13][n:14][c:15]([Cl:21])[c:16]23)[cH:4][n:5][n:6]1[CH3:7]

Participants

8

Reactant 7

HCID 962WaterHCID 1140TolueneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 1363502835-(5-bromo-1-methyl-1H-pyrazol-4-yl)-7-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one

Product 1

HCID 866697205-(5-bromo-1-methyl-1H-pyrazol-4-yl)-4-chloro-7-methylimidazo[5,1-f][1,2,4]triazine

Sources & evidence

ORD record
ord-d9b3980b1b50423bacc68d3421875092
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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