Sodium ion → 2-(4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

HRID 102485

Reaction equation

HRID 102485 reaction equation
[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[CH2:9][CH2:10][N:11]([c:13]1[c:14]([C:15]#[N:16])[cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[CH2:12]2.[CH3:22][N:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH3:30].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[CH3:43][C:44]#[N:45].[Na+:42].[OH-:41].[P:36]([Cl:37])([Cl:38])([Cl:39])=[O:40]>>[c:3]1([Cl:38])[c:4]2[c:5]([n:6][cH:7][n:8]1)[CH2:9][CH2:10][N:11]([c:13]1[c:14]([C:15]#[N:16])[cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[CH2:12]2

Participants

8

Reactant 7

HCID 923Sodium ionHCID 949N,N-DimethylanilineHCID 961HydroxideHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 24813Phosphorus oxychlorideHCID 598407122-(4-methoxy-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

Product 1

HCID 598406882-(4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

Sources & evidence

ORD record
ord-eb84cf9883264bf2be23bb72c87e8d18
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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