Dimethylformamide → 3-(4-Ethyl-piperazin-1-yl)-N-[4-methyl-3-(9-methyl-8-oxo-8,9-dihydro-3H-3,4,9-triaza-cyclopenta[a]naphthalen-7-yl)-phenyl]-5-trifluoromethyl-benzamide

HRID 1553732Notes

Reaction equation

HRID 1553732 reaction equation
[CH2:24]([CH3:25])[N:26]1[CH2:27][CH2:28][N:29]([c:32]2[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]2)[CH2:30][CH2:31]1.[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:23])[c:6](-[c:8]2[cH:9][c:10]3[cH:11][n:12][c:13]4[c:14]([c:15]3[n:16]([CH3:19])[c:17]2=[O:18])[cH:20][cH:21][nH:22]4)[cH:7]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:23])[c:6](-[c:8]2[cH:9][c:10]3[cH:11][n:12][c:13]4[c:14]([c:15]3[n:16]([CH3:19])[c:17]2=[O:18])[cH:20][cH:21][nH:22]4)[cH:7]1)[C:35]([c:34]1[cH:33][c:32]([N:29]2[CH2:28][CH2:27][N:26]([CH2:24][CH3:25])[CH2:31][CH2:30]2)[cH:40][c:39]([C:41]([F:42])([F:43])[F:44])[cH:38]1)=[O:36]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 591985257-(5-Amino-2-methyl-phenyl)-9-methyl-3,9-dihydro-3,4,9-triaza-cyclopenta[a]naphthalen-8-oneHCID 592125183-(4-Ethyl-piperazin-1-yl)-5-trifluoromethyl-benzoic acid

Product 1

HCID 177573403-(4-Ethyl-piperazin-1-yl)-N-[4-methyl-3-(9-methyl-8-oxo-8,9-dihydro-3H-3,4,9-triaza-cyclopenta[a]naphthalen-7-yl)-phenyl]-5-trifluoromethyl-benzamide

Sources & evidence

ORD record
ord-291f9c68ea19445991589f3863f4f13f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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