Hydrochloric Acid → Hydrochloric Acid

HRID 2322290Notes

Reaction equation

HRID 2322290 reaction equation
[Br:24][CH2:25][C:26](=[O:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[ClH:34].[H-:22].[Na+:23].[OH2:40].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[n:8][c:9]3[n:10]([c:11](=[O:13])[cH:12]2)[CH2:14][CH2:15][CH:16]([C:18]([F:19])([F:20])[F:21])[NH:17]3)[cH:5][cH:6]1>>[ClH:34].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[n:8][c:9]3[n:10]([c:11](=[O:13])[cH:12]2)[CH2:14][CH2:15][CH:16]([C:18]([F:19])([F:20])[F:21])[N:17]3[CH2:25][C:26](=[O:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:5][cH:6]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6259Phenacyl bromideHCID 166653HydrideHCID 1363464562-(4-Pyridinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one

Product 2

HCID 313Hydrochloric AcidHCID 98446649-phenacyl-2-pyridin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

Sources & evidence

ORD record
ord-e355d02135bb4f2c8e13da65fcf61b0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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