Potassium Cation → 5-[[4-[3-[[2-[[(5-Chloro-2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]sulfanyl]propyl]piperazin-1-yl]methyl]-3-(pyridin-4-ylmethyl)-1,3-oxazolidin-2-one

HRID 179983Notes

Reaction equation

HRID 179983 reaction equation
[C:52](#[N:53])[CH3:54].[Cl:1][c:2]1[c:3]([NH:10][CH2:11][c:12]2[n:13][cH:14][cH:15][c:16]([S:19][CH2:20][CH2:21][CH2:22][Cl:23])[c:17]2[CH3:18])[n:4][c:5]([CH3:9])[n:6][c:7]1[CH3:8].[I-:51].[K+:44].[K+:45].[N:24]1([CH2:30][CH:31]2[CH2:32][N:33]([CH2:37][c:38]3[cH:39][cH:40][n:41][cH:42][cH:43]3)[C:34](=[O:36])[O:35]2)[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[Na+:50].[O-:46][C:47]([O-:48])=[O:49].[OH2:55]>>[Cl:1][c:2]1[c:3]([NH:10][CH2:11][c:12]2[n:13][cH:14][cH:15][c:16]([S:19][CH2:20][CH2:21][CH2:22][N:27]3[CH2:26][CH2:25][N:24]([CH2:30][CH:31]4[CH2:32][N:33]([CH2:37][c:38]5[cH:39][cH:40][n:41][cH:42][cH:43]5)[C:34](=[O:36])[O:35]4)[CH2:29][CH2:28]3)[c:17]2[CH3:18])[n:4][c:5]([CH3:9])[n:6][c:7]1[CH3:8]

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 184041325-(Piperazin-1-ylmethyl)-3-(pyridin-4-ylmethyl)-1,3-oxazolidin-2-oneHCID 224607245-chloro-N-[[4-(3-chloropropylsulfanyl)-3-methyl-2-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-amine

Product 1

HCID 224607105-[[4-[3-[[2-[[(5-Chloro-2,6-dimethylpyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]sulfanyl]propyl]piperazin-1-yl]methyl]-3-(pyridin-4-ylmethyl)-1,3-oxazolidin-2-one

Sources & evidence

ORD record
ord-5f44b3b1e30c49718cffe7f692eec2d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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