Sodium ion → 5-chloro-N-[[3-chloro-4-[2-chloroethyl(methyl)amino]-2-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-amine

HRID 133895Notes

Reaction equation

HRID 133895 reaction equation
[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[Cl:13][c:14]1[c:15]([CH2:25][Cl:26])[n:16][cH:17][cH:18][c:19]1[N:20]([CH3:21])[CH2:22][CH2:23][Cl:24].[H-:11].[NH2:1][c:2]1[n:3][c:4]([CH3:10])[n:5][c:6]([CH3:9])[c:7]1[Cl:8].[Na+:12].[OH2:27]>>[NH:1]([c:2]1[n:3][c:4]([CH3:10])[n:5][c:6]([CH3:9])[c:7]1[Cl:8])[CH2:25][c:15]1[c:14]([Cl:13])[c:19]([N:20]([CH3:21])[CH2:22][CH2:23][Cl:24])[cH:18][cH:17][n:16]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 5938434-Amino-5-chloro-2,6-dimethylpyrimidineHCID 221173503-chloro-N-(2-chloroethyl)-2-(chloromethyl)-N-methylpyridin-4-amine

Product 1

HCID 699226545-chloro-N-[[3-chloro-4-[2-chloroethyl(methyl)amino]-2-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-amine

Sources & evidence

ORD record
ord-936a862c43a64fb4aed5d04f8440d689
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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