Acetonitrile → 6-Chloro-4-(1H-1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-2-amine

HRID 186911Notes

Reaction equation

HRID 186911 reaction equation
[CH3:33][C:34]#[N:35].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[NH2:11][c:12]1[nH:13][c:14](=[O:23])[c:15]2[c:16]([n:17]1)[cH:18][cH:19][c:20]([Cl:22])[n:21]2.[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:14]2[n:13][c:12]([NH2:11])[n:17][c:16]3[c:15]2[n:21][c:20]([Cl:22])[cH:19][cH:18]3)[n:2][cH:3][n:4][cH:5]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 92571H-1,2,4-TriazoleHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 1357416292-Amino-6-chloropyrido[3,2-d]pyrimidin-4(1H)-one

Product 1

HCID 576983146-Chloro-4-(1H-1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-2-amine

Sources & evidence

ORD record
ord-63a1eb16ac20449f94d98d5beadd8faf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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