Acetonitrile → 5-Chloro-2-[4-(3-[1,2,4]triazol-4-yl-benzylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-benzonitrile

HRID 2140038Notes

Reaction equation

HRID 2140038 reaction equation
[CH3:43][C:44]#[N:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:10]2[CH2:11][c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[Cl:18])[CH2:19][CH2:20]2)[c:6]([C:7]#[N:8])[cH:9]1.[n:21]1[n:22][cH:23][n:24](-[c:26]2[cH:27][c:28]([CH2:32][NH2:33])[cH:29][cH:30][cH:31]2)[cH:25]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:10]2[CH2:11][c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[NH:33][CH2:32][c:28]3[cH:27][c:26](-[n:24]4[cH:23][n:22][n:21][cH:25]4)[cH:31][cH:30][cH:29]3)[CH2:19][CH2:20]2)[c:6]([C:7]#[N:8])[cH:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 598406875-Chloro-2-(4-chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrileHCID 59840698(3-(4H-1,2,4-triazol-4-yl)phenyl)methanamine

Product 1

HCID 250598075-Chloro-2-[4-(3-[1,2,4]triazol-4-yl-benzylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-benzonitrile

Sources & evidence

ORD record
ord-9dad8d8c9912470686a837621885188f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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