Sodium ion → Hydrochloric Acid

HRID 172244Notes

Reaction equation

HRID 172244 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[c:16]1[n:17][c:18]([CH:32]2[CH2:33][CH2:34][CH2:35]2)[cH:19][c:20]([N:22]2[CH2:23][CH2:24][N:25]([CH2:28][CH2:29][CH2:30][Cl:31])[CH2:26][CH2:27]2)[n:21]1.[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[I-:11].[Li+:8].[Na+:10].[OH-:9].[SH:1][c:2]1[cH:3][cH:4][n:5][cH:6][cH:7]1>>[ClH:31].[S:1]([c:2]1[cH:3][cH:4][n:5][cH:6][cH:7]1)[CH2:30][CH2:29][CH2:28][N:25]1[CH2:24][CH2:23][N:22]([c:20]2[cH:19][c:18]([CH:32]3[CH2:33][CH2:34][CH2:35]3)[n:17][c:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[n:21]2)[CH2:27][CH2:26]1

Participants

9

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 28486Lithium ionHCID 30165Iodide IonHCID 666731042-tert-Butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-cyclobutyl-pyrimidineHCID 178418431pyridine-4-thiol

Product 2

HCID 313Hydrochloric AcidHCID 690262532-Tert-butyl-4-cyclobutyl-6-[4-(3-pyridin-4-ylsulfanylpropyl)piperazin-1-yl]pyrimidine

Sources & evidence

ORD record
ord-89c6215d40434bcabb610781790365f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…