1,2-Dichloroethane → 2-Chloro-3-methyl-6-(pyrimidin-4-YL)pyrimidin-4-one

HRID 210612Notes

Reaction equation

HRID 210612 reaction equation
[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cl:32][O-:33].[Cl:36][CH2:37][Cl:38].[Cl:39][CH2:40][CH2:41][Cl:42].[Na+:21].[Na+:22].[Na+:27].[Na+:34].[O-:23][C:24](=[O:25])[O-:26].[OH2:35].[OH:28][C:29](=[O:30])[O-:31].[P:16]([Cl:17])([Cl:18])([Cl:19])=[O:20].[SH:1][c:2]1[n:3]([CH3:15])[c:4](=[O:14])[cH:5][c:6](-[c:8]2[n:9][cH:10][n:11][cH:12][cH:13]2)[n:7]1>>[c:2]1([Cl:18])[n:3]([CH3:15])[c:4](=[O:14])[cH:5][c:6](-[c:8]2[n:9][cH:10][n:11][cH:12][cH:13]2)[n:7]1

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ion4×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24813Phosphorus oxychlorideHCID 61739HypochloriteHCID 1784816782-Mercapto-3-methyl-6-(pyrimidin-4-YL)-3H-pyrimidin-4-one

Product 1

HCID 179544602-Chloro-3-methyl-6-(pyrimidin-4-YL)pyrimidin-4-one

Sources & evidence

ORD record
ord-bd90228bbe3f44918a95a3419e753adc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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