Acetonitrile → 5-Chloro-2-(4-((6-(dimethylamino)pyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile

HRID 2335313Notes

Reaction equation

HRID 2335313 reaction equation
[Br:12][c:13]1[c:14]2[c:15]([n:16][cH:17][n:18]1)[CH2:19][CH2:20][N:21]([c:23]1[c:24]([C:25]#[N:26])[cH:27][c:28]([Cl:31])[cH:29][cH:30]1)[CH2:22]2.[CH3:41][C:42]#[N:43].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([N:9]([CH3:10])[CH3:11])[n:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([N:9]([CH3:10])[CH3:11])[n:7][cH:8]1)[c:13]1[c:14]2[c:15]([n:16][cH:17][n:18]1)[CH2:19][CH2:20][N:21]([c:23]1[c:24]([C:25]#[N:26])[cH:27][c:28]([Cl:31])[cH:29][cH:30]1)[CH2:22]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 167885965-(aminomethyl)-N,N-dimethylpyridin-2-amineHCID 598406952-(4-bromo-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-chlorobenzonitrile

Product 1

HCID 250624085-Chloro-2-(4-((6-(dimethylamino)pyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile

Sources & evidence

ORD record
ord-0e4c9f91019740d08db3368ab1408389
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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