Dimethylformamide → 2,6-Diamino-N-(5-(4-fluoro-phenoxy)-furan-2-ylmethyl)-nicotinamide

HRID 195491Notes

Reaction equation

HRID 195491 reaction equation
[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[F:46][c:47]1[cH:48][cH:49][c:50]([O:51][c:52]2[cH:53][cH:54][c:55]([CH2:57][NH2:58])[o:56]2)[cH:59][cH:60]1.[NH2:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([NH2:11])[n:10]1.[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][P+:28]([N:29]([CH3:30])[CH3:31])([N:32]([CH3:33])[CH3:34])[N:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[NH2:1][c:2]1[c:3]([C:4](=[O:6])[NH:58][CH2:57][c:55]2[cH:54][cH:53][c:52]([O:51][c:50]3[cH:49][cH:48][c:47]([F:46])[cH:60][cH:59]3)[o:56]2)[cH:7][cH:8][c:9]([NH2:11])[n:10]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 189772452,6-Diaminonicotinic acidHCID 23130578C-(5-(4-Fluoro-phenoxy)-furan-2-yl)methylamine

Product 1

HCID 231304652,6-Diamino-N-(5-(4-fluoro-phenoxy)-furan-2-ylmethyl)-nicotinamide

Sources & evidence

ORD record
ord-7be4f2e2c30b4bfa9f0b84199405895f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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