Chloride → 1-(2,4-Dichloropyrimidin-5-yl)ethan-1-one

HRID 194538Notes

Reaction equation

HRID 194538 reaction equation
[C:23](=[O:24])([OH:25])[O-:26].[CH2:30]([Cl:31])[Cl:32].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:12][C:13]1([CH3:22])[N:14]([O:15])[C:16]([CH3:17])([CH3:18])[CH2:19][CH2:20][CH2:21]1.[CH3:34][CH2:35][CH2:36][CH2:37][N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50].[Cl-:33].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH:9]([CH3:10])[OH:11])[c:6]([Cl:8])[n:7]1.[Cl:28][Cl:29].[Na+:27].[OH2:51]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([C:9]([CH3:10])=[O:11])[c:6]([Cl:8])[n:7]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 24526ChlorineHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 151416481-(2,4-Dichloropyrimidin-5-yl)ethan-1-ol

Product 1

HCID 212747081-(2,4-Dichloropyrimidin-5-yl)ethan-1-one

Sources & evidence

ORD record
ord-f109f8af864c405795c2371eaee90298
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…