Hydrochloric Acid → Hydrochloric Acid

HRID 2136599Notes

Reaction equation

HRID 2136599 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].[NH:1]1[C:2](=[O:6])[CH2:3][CH2:4][CH2:5]1.[Na+:39].[Na+:8].[OH2:50]>>[ClH:11].[N:1]1([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)[C:2](=[O:6])[CH2:3][CH2:4][CH2:5]1

Participants

11

Reactant 9

HCID 313Hydrochloric Acid3×HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 120252-PyrrolidoneHCID 30165Iodide IonHCID 166653HydrideHCID 685941612-[4-(Chloromethyl)phenyl]-3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine

Product 2

HCID 313Hydrochloric AcidHCID 593220361-[[4-[3-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]pyrrolidin-2-one

Sources & evidence

ORD record
ord-1c4b15fe083a40c2a7bcac5460e8f2bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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