Dimethylformamide → 3-(4-methyl-imidazol-1-yl)-N-[3-(2-oxo-2,3-dihydro-1H-indol-6-ylamino)-phenyl]-5-trifluoromethyl-benzamide

HRID 298383Notes

Reaction equation

HRID 298383 reaction equation
[CH3:19][c:20]1[n:21][cH:22][n:23](-[c:25]2[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]2)[cH:24]1.[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[NH2:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[cH:10][cH:11][c:12]3[c:16]([cH:17]2)[NH:15][C:14](=[O:18])[CH2:13]3)[cH:5][cH:6][cH:7]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[NH:1]([c:2]1[cH:3][c:4]([NH:8][c:9]2[cH:10][cH:11][c:12]3[c:16]([cH:17]2)[NH:15][C:14](=[O:18])[CH2:13]3)[cH:5][cH:6][cH:7]1)[C:28]([c:27]1[cH:26][c:25](-[n:23]2[cH:22][n:21][c:20]([CH3:19])[cH:24]2)[cH:33][c:32]([C:34]([F:35])([F:36])[F:37])[cH:31]1)=[O:29]

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 469002413-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acidHCID 593970496-((3-Aminophenyl)amino)indolin-2-one

Product 1

HCID 598043093-(4-methyl-imidazol-1-yl)-N-[3-(2-oxo-2,3-dihydro-1H-indol-6-ylamino)-phenyl]-5-trifluoromethyl-benzamide

Sources & evidence

ORD record
ord-cf5aac9d69a641d5bdf433cb5739d144
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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