Benzene → 2-Bromo-3-oxo-N-(4-(trifluoromethyl)phenyl)butanamide

HRID 214489Notes

Reaction equation

HRID 214489 reaction equation
[Br:18].[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[BrH:19].[BrH:28].[C:76]([Cl:77])([Cl:78])([Cl:79])[Cl:80].[CH2:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH:81]([Cl:82])([Cl:83])[Cl:84].[Cl:35][CH:36]([Cl:37])[CH3:38].[Cl:85][CH2:86][Cl:87].[O-:39][N+:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47].[O:1]=[C:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1)[CH3:17].[OH2:48].[c:61]1([CH3:62])[c:63]([CH3:64])[cH:65][cH:66][cH:67][cH:68]1.[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[nH+:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[O:1]=[C:2]([CH:3]([C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1)[Br:20])[CH3:17]

Participants

15

Reactant 14

HCID 241BenzeneHCID 260Hydrogen Bromide3×HCID 962WaterHCID 1140TolueneHCID 5943Carbon TetrachlorideHCID 6212ChloroformHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 7237O-XyleneHCID 7416NitrobenzeneHCID 8078CyclohexaneHCID 67184N-bromobutanimideHCID 14720783-oxo-N-(4-(trifluoromethyl)phenyl)butanamideHCID 4989215Pyridinium

Product 1

HCID 446287412-Bromo-3-oxo-N-(4-(trifluoromethyl)phenyl)butanamide

Sources & evidence

ORD record
ord-51f4a244b6024403bd652adde044bad9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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