Sodium ion → 5-chloro-2,6-dimethyl-N-[[3-methyl-4-(4-piperazin-1-ylbutylsulfanyl)-2-pyridinyl]methyl]pyrimidin-4-amine

HRID 2128953Notes

Reaction equation

HRID 2128953 reaction equation
[CH2:25]1[CH2:26][NH:27][CH2:28][CH2:29][NH:30]1.[CH3:39][C:40]#[N:41].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][S:6][c:7]1[c:8]([CH3:24])[c:9]([CH2:13][NH:14][c:15]2[n:16][c:17]([CH3:23])[n:18][c:19]([CH3:22])[c:20]2[Cl:21])[n:10][cH:11][cH:12]1.[I-:38].[Na+:31].[Na+:32].[Na+:37].[O-:33][C:34](=[O:35])[O-:36].[OH2:42]>>[CH2:2]([CH2:3][CH2:4][CH2:5][S:6][c:7]1[c:8]([CH3:24])[c:9]([CH2:13][NH:14][c:15]2[n:16][c:17]([CH3:23])[n:18][c:19]([CH3:22])[c:20]2[Cl:21])[n:10][cH:11][cH:12]1)[N:27]1[CH2:26][CH2:25][NH:30][CH2:29][CH2:28]1

Participants

8

Reactant 7

HCID 923Sodium ion3×HCID 962WaterHCID 4837PiperazineHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 224607765-chloro-N-[[4-(4-chlorobutylsulfanyl)-3-methyl-2-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-amine

Product 1

HCID 224607835-chloro-2,6-dimethyl-N-[[3-methyl-4-(4-piperazin-1-ylbutylsulfanyl)-2-pyridinyl]methyl]pyrimidin-4-amine

Sources & evidence

ORD record
ord-3bbd63996d424d6b81ed8ca66437d021
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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