Bromide ion → (6-Bromo-pyridin-2-yl)-(2,4-dichloro-pyrimidin-5-yl)-methanone

HRID 1541542Notes

Reaction equation

HRID 1541542 reaction equation
[Br-:41].[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH:8]([OH:9])[c:10]2[c:11]([Cl:17])[n:12][c:13]([Cl:16])[n:14][cH:15]2)[n:7]1.[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH3:23][C:24]1([CH3:33])[N:25]([O:26])[C:27]([CH3:28])([CH3:29])[CH2:30][CH2:31][CH2:32]1.[Cl:34][O-:35].[Cl:37][CH2:38][Cl:39].[Na+:22].[Na+:36].[O-:18][C:19]([OH:20])=[O:21].[OH2:40]>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:8](=[O:9])[c:10]2[c:11]([Cl:17])[n:12][c:13]([Cl:16])[n:14][cH:15]2)[n:7]1

Participants

10

Reactant 9

HCID 259Bromide ionHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 61739HypochloriteHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 86667957(6-Bromo-pyridin-2-yl)-(2,4-dichloro-pyrimidin-5-yl)-methanol

Product 1

HCID 86667958(6-Bromo-pyridin-2-yl)-(2,4-dichloro-pyrimidin-5-yl)-methanone

Sources & evidence

ORD record
ord-61c7cc539083444c8568db52f9423efd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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