Dimethylformamide → 7-[(3RS,5SR)-3,5-Dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-N-[2-methyl-4-(trifluoromethoxy)benzyl]-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinoline-3-carboxamide

HRID 1113896Notes

Reaction equation

HRID 1113896 reaction equation
[CH3:1][CH:2]1[CH2:3][N:4]([c:9]2[c:10]([F:30])[cH:11][c:12]3[c:13](=[O:29])[c:14]([C:26](=[O:27])[OH:28])[cH:15][n:16]([CH2:21][C:22]([F:23])([F:24])[F:25])[c:17]3[c:18]2[O:19][CH3:20])[CH2:5][CH:6]([CH3:8])[NH:7]1.[CH3:31][c:32]1[c:33]([CH2:34][NH2:35])[cH:36][cH:37][c:38]([O:40][C:41]([F:42])([F:43])[F:44])[cH:39]1.[CH3:78][N:79]([CH3:80])[c:81]1[cH:82][cH:83][n:84][cH:85][cH:86]1.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][P+:54]([N:55]2[CH2:56][CH2:57][CH2:58][CH2:59]2)([N:60]2[CH2:61][CH2:62][CH2:63][CH2:64]2)[N:65]2[CH2:66][CH2:67][CH2:68][CH2:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[CH3:1][CH:2]1[CH2:3][N:4]([c:9]2[c:10]([F:30])[cH:11][c:12]3[c:13](=[O:29])[c:14]([C:26](=[O:27])[NH:35][CH2:34][c:33]4[c:32]([CH3:31])[cH:39][c:38]([O:40][C:41]([F:42])([F:43])[F:44])[cH:37][cH:36]4)[cH:15][n:16]([CH2:21][C:22]([F:23])([F:24])[F:25])[c:17]3[c:18]2[O:19][CH3:20])[CH2:5][CH:6]([CH3:8])[NH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 577941232-Methyl-4-(trifluoromethoxy)benzylamineHCID 668607847-[(3RS,5SR)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinoline-3-carboxylic acid

Product 1

HCID 724938447-[(3RS,5SR)-3,5-Dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-N-[2-methyl-4-(trifluoromethoxy)benzyl]-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinoline-3-carboxamide

Sources & evidence

ORD record
ord-ebb3be7d99e5403ab10f5199908326a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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