Dimethylformamide → Tert-butyl 3-(4-(4-cyano-2-(2,6-difluorophenyl)oxazol-5-ylamino)phenylamino)-3-oxopropyl(methyl)carbamate

HRID 1538942Notes

Reaction equation

HRID 1538942 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][C:11](=[O:12])[OH:13])[CH3:14].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[NH2:48][c:49]1[cH:50][cH:51][c:52]([NH:55][c:56]2[c:57]([C:69]#[N:70])[n:58][c:59](-[c:61]3[c:62]([F:68])[cH:63][cH:64][cH:65][c:66]3[F:67])[o:60]2)[cH:53][cH:54]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][C:11](=[O:13])[NH:48][c:49]1[cH:50][cH:51][c:52]([NH:55][c:56]2[c:57]([C:69]#[N:70])[n:58][c:59](-[c:61]3[c:62]([F:68])[cH:63][cH:64][cH:65][c:66]3[F:67])[o:60]2)[cH:53][cH:54]1)[CH3:14]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27609523-(Methylamino)propanoic acid, N-BOC protectedHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595874505-(4-Aminophenylamino)-2-(2,6-difluorophenyl)oxazole-4-carbonitrile

Product 1

HCID 59587674Tert-butyl 3-(4-(4-cyano-2-(2,6-difluorophenyl)oxazol-5-ylamino)phenylamino)-3-oxopropyl(methyl)carbamate

Sources & evidence

ORD record
ord-1262039ff38b4fb3a17f25270afedd1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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