Dimethylformamide → 3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide

HRID 106529Notes

Reaction equation

HRID 106529 reaction equation
[CH3:1][CH:2]([OH:3])[CH2:4][C:5]([O-:6])=[O:7].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[NH2:41][c:42]1[cH:43][cH:44][c:45](-[c:48]2[n:49][c:50]([NH:54][c:55]3[cH:56][cH:57][c:58]([N:61]4[CH2:62][CH2:63][O:64][CH2:65][CH2:66]4)[cH:59][cH:60]3)[n:51][cH:52][cH:53]2)[cH:46][cH:47]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:8]([F:9])([F:10])([F:11])([F:12])([F:13])[F:14].[n:15]1([O:16][C:17]([N:18]([CH3:19])[CH3:20])=[N+:21]([CH3:22])[CH3:23])[c:24]2[n:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[CH3:1][CH:2]([OH:3])[CH2:4][C:5](=[O:7])[NH:41][c:42]1[cH:43][cH:44][c:45](-[c:48]2[n:49][c:50]([NH:54][c:55]3[cH:56][cH:57][c:58]([N:61]4[CH2:62][CH2:63][O:64][CH2:65][CH2:66]4)[cH:59][cH:60]3)[n:51][cH:52][cH:53]2)[cH:46][cH:47]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 35411123-HydroxybutyrateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 248780154-(4-aminophenyl)-N-(4-morpholinophenyl)pyrimidin-2-amine

Product 1

HCID 690232743-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide

Sources & evidence

ORD record
ord-29e80c45c0c74b50bd81f0c0deb18b60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…