1,2-Dichloroethane → N-(1-(3-Bromo-7-fluoro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide

HRID 1209453Notes

Reaction equation

HRID 1209453 reaction equation
[Br:1][c:2]1[c:3]([CH:14]([CH3:15])[NH:16][CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[n:4][c:5]2[n:6]([c:7]1=[O:8])[cH:9][c:10]([F:13])[cH:11][cH:12]2.[C:63]([O:64][CH2:65][CH3:66])(=[O:67])[CH3:68].[CH2:39]([Cl:40])[CH2:41][Cl:42].[CH3:53][N:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl:60][CH2:61][Cl:62].[F:24][c:25]1[c:26]([C:35]([F:36])([F:37])[F:38])[cH:27][c:28]([CH2:31][C:32](=[O:33])[OH:34])[cH:29][cH:30]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:69].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[Br:1][c:2]1[c:3]([CH:14]([CH3:15])[N:16]([CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[C:32]([CH2:31][c:28]2[cH:27][c:26]([C:35]([F:36])([F:37])[F:38])[c:25]([F:24])[cH:30][cH:29]2)=[O:33])[n:4][c:5]2[n:6]([c:7]1=[O:8])[cH:9][c:10]([F:13])[cH:11][cH:12]2

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 8857Ethyl Acetate2×HCID 757711-HydroxybenzotriazoleHCID 27375934-Fluoro-3-(trifluoromethyl)phenylacetic acidHCID 587968963-Bromo-2-(1-(2-(ethylsulfonyl)ethylamino)ethyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one

Product 1

HCID 58796903N-(1-(3-Bromo-7-fluoro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide

Sources & evidence

ORD record
ord-a5d4f3b0dff84ec7b3fb6f8748681940
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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