Hydrochloric Acid → Hydrochloric Acid

HRID 211896Notes

Reaction equation

HRID 211896 reaction equation
[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][C:48]#[N:49].[Cl:11][CH2:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[c:20]([N:25]3[CH2:26][CH2:27][N:28]([CH2:31][c:32]4[cH:33][n:34][n:35]([CH3:38])[c:36]4[CH3:37])[CH2:29][CH2:30]3)[n:21][cH:22][cH:23][n:24]2)[cH:17][cH:18]1.[ClH:10].[ClH:41].[ClH:9].[H-:7].[I-:40].[Na+:39].[Na+:8].[O:1]1[C:2](=[O:6])[NH:3][CH2:4][CH2:5]1.[OH2:50]>>[ClH:11].[O:1]1[C:2](=[O:6])[N:3]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([N:25]4[CH2:26][CH2:27][N:28]([CH2:31][c:32]5[cH:33][n:34][n:35]([CH3:38])[c:36]5[CH3:37])[CH2:29][CH2:30]4)[n:21][cH:22][cH:23][n:24]3)[cH:17][cH:18]2)[CH2:4][CH2:5]1

Participants

11

Reactant 9

HCID 313Hydrochloric Acid3×HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 30165Iodide IonHCID 739492-OxazolidinoneHCID 166653HydrideHCID 685941612-[4-(Chloromethyl)phenyl]-3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

Product 2

HCID 313Hydrochloric AcidHCID 593220523-[[4-[3-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]-1,3-oxazolidin-2-one

Sources & evidence

ORD record
ord-4957b0f73e4647e48c3a96521c30cba7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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